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

C24H28F4 — CID 54061362

IUPAC2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-1-[4-(trifluoromethyl)phenyl]benzene
SMILESCCCC1CCC(CCc2ccc(-c3ccc(C(F)(F)F)cc3)c(F)c2)CC1
InChIInChI=1S/C24H28F4/c1-2-3-17-4-6-18(7-5-17)8-9-19-10-15-22(23(25)16-19)20-11-13-21(14-12-20)24(26,27)28/h10-18H,2-9H2,1H3
InChIKeyLZYHLOBUASLXMR-UHFFFAOYSA-N
MW392.48 g/mol
LogP8.05
Rot. Bonds6

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

2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-1-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 54061362) has the molecular formula C24H28F4 and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-1-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-1-[4-(trifluoromethyl)phenyl]benzene
PubChem CID54061362
Molecular FormulaC24H28F4
Molecular Weight392.48 g/mol
Exact Mass392.21
IUPAC Name2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-1-[4-(trifluoromethyl)phenyl]benzene
SMILESCCCC1CCC(CCc2ccc(-c3ccc(C(F)(F)F)cc3)c(F)c2)CC1
InChIInChI=1S/C24H28F4/c1-2-3-17-4-6-18(7-5-17)8-9-19-10-15-22(23(25)16-19)20-11-13-21(14-12-20)24(26,27)28/h10-18H,2-9H2,1H3
InChIKeyLZYHLOBUASLXMR-UHFFFAOYSA-N
XLogP8.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]cyclohexan-1-amine
CID 162565754
2-fluoro-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]-1-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzene
CID 54120723
1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54325474
1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-hexylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54097147
2-fluoro-4-propyl-1-[4-[2-(4-prop-1-ynylcyclohexyl)ethyl]phenyl]benzene
CID 18653634
1-(3,4-difluorophenyl)-4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorobenzene
CID 18343984
2-[2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]ethyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58839855
1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene
CID 22886828
1,3-difluoro-5-[2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 59246928
2-fluoro-4-[2-(4-iodocyclohexyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]benzene
CID 154527598
2-fluoro-4-propyl-1-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]benzene
CID 67943668
1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene
CID 160836362

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-1-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-1-[4-(trifluoromethyl)phenyl]benzene (CID 54061362) is 2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-1-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-1-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-1-[4-(trifluoromethyl)phenyl]benzene is CCCC1CCC(CCc2ccc(-c3ccc(C(F)(F)F)cc3)c(F)c2)CC1.
What is the InChIKey of 2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-1-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is LZYHLOBUASLXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4/c1-2-3-17-4-6-18(7-5-17)8-9-19-10-15-22(23(25)16-19)20-11-13-21(14-12-20)24(26,27)28/h10-18H,2-9H2,1H3.
What are the key properties of 2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-1-[4-(trifluoromethyl)phenyl]benzene?
2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-1-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 392.48 g/mol, XLogP of 8.05, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-1-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 54061362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).