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Screening compounds

2bcHtFMeOdFP

Also known as 4-(3,5-difluoro-4-(trifluoromethoxy)phenyl)-4'-ethyl-1,1'-bi(cyclohexane), 5-[(trans,trans)-4a(2)-Ethyl[1,1a(2)-bicyclohexyl]-4-yl]-1,3-difluoro-2-(trifluoromethoxy)benzene

CAS 145721-29-5Formula C21H27F5OMolar mass 390.44 g/mol
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2bcHtFMeOdFP chemical structure, C21H27F5O, CAS 145721-29-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
145721-29-5
Formula
C21H27F5O
Molar mass
390.44 g/mol
HS code
290930
Category
Screening compounds

What is 2bcHtFMeOdFP?

Plain description, key identifiers and synonyms

2bcHtFMeOdFP is a chemical substance with the molecular formula C21H27F5O and a molar mass of 390.44 g/mol. Its CAS registry number is 145721-29-5. The IUPAC name is 5-[4-(4-ethylcyclohexyl)cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-[4-(4-ethylcyclohexyl)cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
CAS number
145721-29-5
Molecular formula
C21H27F5O
InChIKey
YPMNPRPNBNWTCZ-UHFFFAOYSA-N
InChI
InChI=1S/C21H27F5O/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17-11-18(22)20(19(23)12-17)27-21(24,25)26/h11-16H,2-10H2,1H3
SMILES (canonical and isomeric)
CCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C(=C3)F)OC(F)(F)F)F

Synonyms

  • 4-(3,5-difluoro-4-(trifluoromethoxy)phenyl)-4'-ethyl-1,1'-bi(cyclohexane)
  • 5-[(trans,trans)-4a(2)-Ethyl[1,1a(2)-bicyclohexyl]-4-yl]-1,3-difluoro-2-(trifluoromethoxy)benzene

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
390.44 g/molcalc.
Exact mass
390.1982 Dacalc.
LogP (octanol/water)
7.35calc.
Topological polar surface area
9.23 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
4calc.
Heavy atoms
27calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.71calc.
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 (1,1'-Bicyclohexyl)-4-ylbenzene ring system.

125 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.

2bcHtFMeOdFP suppliers

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2bcHtFMeOdFP 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 2bcHtFMeOdFP 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 2bcHtFMeOdFP is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 2bcHtFMeOdFP, based on the data on this page

What is 2bcHtFMeOdFP?

2bcHtFMeOdFP is a chemical substance with the molecular formula C21H27F5O and a molar mass of 390.44 g/mol. Its CAS registry number is 145721-29-5. The IUPAC name is 5-[4-(4-ethylcyclohexyl)cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene.

What is the CAS number of 2bcHtFMeOdFP?

The CAS registry number of 2bcHtFMeOdFP is 145721-29-5.

What is the molecular formula and weight of 2bcHtFMeOdFP?

The molecular formula of 2bcHtFMeOdFP is C21H27F5O and its molar mass is 390.44 g/mol.

What is 2bcHtFMeOdFP used for?

Known uses and roles of 2bcHtFMeOdFP include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 2bcHtFMeOdFP hazardous?

No GHS hazard classification for 2bcHtFMeOdFP 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 2bcHtFMeOdFP?

2bcHtFMeOdFP 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 2bcHtFMeOdFP?

Post a free request on CompoundList and suppliers of 2bcHtFMeOdFP will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 2bcHtFMeOdFP?

Suppliers quote 2bcHtFMeOdFP 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 2bcHtFMeOdFP

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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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