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Screening compounds

3cHdFMeOteFB

Also known as 4'-(difluoromethoxy)-2,3',5',6-tetrafluoro-4-(4-propylcyclohexyl)-1,1'-biphenyl, 1,1a(2)-Biphenyl, 4a(2)-(difluoromethoxy)-2,3a(2),5a(2),6-tetrafluoro-4-(4-propylcyclohexyl)-, trans-

CAS 163002-71-9Formula C22H22F6OMolar mass 416.41 g/mol
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3cHdFMeOteFB chemical structure, C22H22F6O, CAS 163002-71-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
163002-71-9
Formula
C22H22F6O
Molar mass
416.41 g/mol
HS code
290930
Category
Screening compounds

What is 3cHdFMeOteFB?

Plain description, key identifiers and synonyms

3cHdFMeOteFB is a chemical substance with the molecular formula C22H22F6O and a molar mass of 416.41 g/mol. Its CAS registry number is 163002-71-9. The IUPAC name is 2-(difluoromethoxy)-5-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-1,3-difluorobenzene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-(difluoromethoxy)-5-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-1,3-difluorobenzene
CAS number
163002-71-9
Molecular formula
C22H22F6O
InChIKey
LIGREAGMMNXDLT-UHFFFAOYSA-N
InChI
InChI=1S/C22H22F6O/c1-2-3-12-4-6-13(7-5-12)14-8-16(23)20(17(24)9-14)15-10-18(25)21(19(26)11-15)29-22(27)28/h8-13,22H,2-7H2,1H3
SMILES (canonical and isomeric)
CCCC1CCC(CC1)C2=CC(=C(C(=C2)F)C3=CC(=C(C(=C3)F)OC(F)F)F)F

Synonyms

  • 4'-(difluoromethoxy)-2,3',5',6-tetrafluoro-4-(4-propylcyclohexyl)-1,1'-biphenyl
  • 1,1a(2)-Biphenyl, 4a(2)-(difluoromethoxy)-2,3a(2),5a(2),6-tetrafluoro-4-(4-propylcyclohexyl)-, trans-

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
416.41 g/molcalc.
Exact mass
416.1575 Dacalc.
LogP (octanol/water)
7.59calc.
Topological polar surface area
9.23 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
6calc.
Heavy atoms
29calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.46calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc(-c2ccc(C3CCCCC3)cc2)cc1

c1ccc(-c2ccc(C3CCCCC3)cc2)cc1

3 rings, 18 atoms, the Cyclohexyl-1,1'-biphenyl ring system.

160 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

3cHdFMeOteFB suppliers

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3cHdFMeOteFB price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 3cHdFMeOteFB is traded under.

HS 2909.30Indicative HS code

Aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives

World exports in 2024
$470M
−2.2% vs 2023, imports $432M
2019 to 2024
Top exporters
  1. China45.7%
  2. Germany15.7%
  3. India * partner reported9.9%
Top importers
  1. United States14.3%
  2. China11.8%
  3. India * partner reported8.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for 3cHdFMeOteFB is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 3cHdFMeOteFB, based on the data on this page

What is 3cHdFMeOteFB?

3cHdFMeOteFB is a chemical substance with the molecular formula C22H22F6O and a molar mass of 416.41 g/mol. Its CAS registry number is 163002-71-9. The IUPAC name is 2-(difluoromethoxy)-5-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-1,3-difluorobenzene.

What is the CAS number of 3cHdFMeOteFB?

The CAS registry number of 3cHdFMeOteFB is 163002-71-9.

What is the molecular formula and weight of 3cHdFMeOteFB?

The molecular formula of 3cHdFMeOteFB is C22H22F6O and its molar mass is 416.41 g/mol.

What is 3cHdFMeOteFB used for?

Known uses and roles of 3cHdFMeOteFB include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 3cHdFMeOteFB hazardous?

No GHS hazard classification for 3cHdFMeOteFB is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of 3cHdFMeOteFB?

3cHdFMeOteFB is usually classified under HS code 290930 (Aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 3cHdFMeOteFB?

Post a free request on CompoundList and suppliers of 3cHdFMeOteFB will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 3cHdFMeOteFB?

Suppliers quote 3cHdFMeOteFB on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle 3cHdFMeOteFB

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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