2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1-(trifluoromethyl)benzene

C22H24F4 — CID 20654453

IUPAC2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1-(trifluoromethyl)benzene
SMILESCC1CCC(CCc2ccc(-c3ccc(C(F)(F)F)c(F)c3)cc2)CC1
InChIInChI=1S/C22H24F4/c1-15-2-4-16(5-3-15)6-7-17-8-10-18(11-9-17)19-12-13-20(21(23)14-19)22(24,25)26/h8-16H,2-7H2,1H3
InChIKeyKGBBQWPLKQRAND-UHFFFAOYSA-N
MW364.43 g/mol
LogP7.27
Rot. Bonds4

About 2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1-(trifluoromethyl)benzene

2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1-(trifluoromethyl)benzene (PubChem CID 20654453) has the molecular formula C22H24F4 and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1-(trifluoromethyl)benzene
PubChem CID20654453
Molecular FormulaC22H24F4
Molecular Weight364.43 g/mol
Exact Mass364.18
IUPAC Name2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1-(trifluoromethyl)benzene
SMILESCC1CCC(CCc2ccc(-c3ccc(C(F)(F)F)c(F)c3)cc2)CC1
InChIInChI=1S/C22H24F4/c1-15-2-4-16(5-3-15)6-7-17-8-10-18(11-9-17)19-12-13-20(21(23)14-19)22(24,25)26/h8-16H,2-7H2,1H3
InChIKeyKGBBQWPLKQRAND-UHFFFAOYSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.43
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoro-1-(trifluoromethyl)benzene
CID 22437537
2-fluoro-4-[4-[2-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]ethyl]phenyl]-1-(trifluoromethyl)benzene
CID 19695475
1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene
CID 22886828
2-fluoro-1-iodo-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1-(trifluoromethyl)benzene;methyl 2,2-difluoro-2-fluorosulfonylacetate
CID 54275569
2-fluoro-4-[4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]phenyl]-1-(trifluoromethyl)benzene
CID 19695183
1-fluoro-3-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene
CID 18720800
1-[difluoro(trifluoromethoxy)methyl]-2-fluoro-4-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 90180053
4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene
CID 14993447
1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 21136661
5-[difluoro-[2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]methoxy]-1,3-difluoro-2-(4-methylphenyl)benzene
CID 20705763
4-(4-but-3-enylphenyl)-2-fluoro-1-(trifluoromethyl)benzene
CID 139764150
2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene
CID 21136716

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1-(trifluoromethyl)benzene?
The IUPAC name of 2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1-(trifluoromethyl)benzene (CID 20654453) is 2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1-(trifluoromethyl)benzene.
What is the SMILES notation for 2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1-(trifluoromethyl)benzene?
The canonical SMILES for 2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1-(trifluoromethyl)benzene is CC1CCC(CCc2ccc(-c3ccc(C(F)(F)F)c(F)c3)cc2)CC1.
What is the InChIKey of 2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1-(trifluoromethyl)benzene?
The InChIKey is KGBBQWPLKQRAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4/c1-15-2-4-16(5-3-15)6-7-17-8-10-18(11-9-17)19-12-13-20(21(23)14-19)22(24,25)26/h8-16H,2-7H2,1H3.
What are the key properties of 2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1-(trifluoromethyl)benzene?
2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1-(trifluoromethyl)benzene has a molecular weight of 364.43 g/mol, XLogP of 7.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1-(trifluoromethyl)benzene is sourced from PubChem (CID 20654453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).