2-fluoro-4-[2-[4-[4-(3-methylpentyl)cyclohexyl]phenyl]ethyl]-1-(trifluoromethyl)benzene

C27H34F4 — CID 22373784

IUPAC2-fluoro-4-[2-[4-[4-(3-methylpentyl)cyclohexyl]phenyl]ethyl]-1-(trifluoromethyl)benzene
SMILESCCC(C)CCC1CCC(c2ccc(CCc3ccc(C(F)(F)F)c(F)c3)cc2)CC1
InChIInChI=1S/C27H34F4/c1-3-19(2)4-5-20-8-13-23(14-9-20)24-15-10-21(11-16-24)6-7-22-12-17-25(26(28)18-22)27(29,30)31/h10-12,15-20,23H,3-9,13-14H2,1-2H3
InChIKeyZPBSJJDKIFMEAG-UHFFFAOYSA-N
MW434.56 g/mol
LogP8.73
Rot. Bonds8

About 2-fluoro-4-[2-[4-[4-(3-methylpentyl)cyclohexyl]phenyl]ethyl]-1-(trifluoromethyl)benzene

2-fluoro-4-[2-[4-[4-(3-methylpentyl)cyclohexyl]phenyl]ethyl]-1-(trifluoromethyl)benzene (PubChem CID 22373784) has the molecular formula C27H34F4 and a molecular weight of 434.56 g/mol. Its IUPAC name is 2-fluoro-4-[2-[4-[4-(3-methylpentyl)cyclohexyl]phenyl]ethyl]-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-fluoro-4-[2-[4-[4-(3-methylpentyl)cyclohexyl]phenyl]ethyl]-1-(trifluoromethyl)benzene
PubChem CID22373784
Molecular FormulaC27H34F4
Molecular Weight434.56 g/mol
Exact Mass434.26
IUPAC Name2-fluoro-4-[2-[4-[4-(3-methylpentyl)cyclohexyl]phenyl]ethyl]-1-(trifluoromethyl)benzene
SMILESCCC(C)CCC1CCC(c2ccc(CCc3ccc(C(F)(F)F)c(F)c3)cc2)CC1
InChIInChI=1S/C27H34F4/c1-3-19(2)4-5-20-8-13-23(14-9-20)24-15-10-21(11-16-24)6-7-22-12-17-25(26(28)18-22)27(29,30)31/h10-12,15-20,23H,3-9,13-14H2,1-2H3
InChIKeyZPBSJJDKIFMEAG-UHFFFAOYSA-N
XLogP8.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-difluoro-5-[4-[2-[4-(3-methylpentyl)cyclohexyl]ethyl]cyclohexyl]-2-(trifluoromethyl)benzene
CID 22373797
2-fluoro-1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-4-(4-hexylcyclohexyl)benzene
CID 22437512
1,3-difluoro-5-[2-[2-fluoro-4-[4-(3-methylpentyl)cyclohexyl]phenyl]ethyl]-2-(trifluoromethoxy)benzene
CID 22373761
1,3-difluoro-5-[2-fluoro-4-[4-(3-methylpentyl)cyclohexyl]phenyl]-2-(trifluoromethyl)benzene
CID 19702520
1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylcyclohexyl)naphthalene
CID 139873665
4-[4-[4-(3,6-dimethyloctyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 144971677
2-fluoro-4-[4-[4-(3-methylpentyl)cyclohexyl]phenyl]-1-(trifluoromethoxy)benzene
CID 19702571
2-fluoro-4-[4-[4-(4-methylpentyl)cyclohexyl]cyclohexyl]-1-(trifluoromethyl)benzene
CID 19702487
4-[4-(3-methylpentyl)cyclohexyl]benzonitrile
CID 22755305
2-chloro-1,3-difluoro-5-[2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethyl]benzene
CID 54430523
2-fluoro-4-(4-pentan-2-ylcyclohexyl)-1-(trifluoromethyl)benzene
CID 162555914
2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867569

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-[4-[4-(3-methylpentyl)cyclohexyl]phenyl]ethyl]-1-(trifluoromethyl)benzene?
The IUPAC name of 2-fluoro-4-[2-[4-[4-(3-methylpentyl)cyclohexyl]phenyl]ethyl]-1-(trifluoromethyl)benzene (CID 22373784) is 2-fluoro-4-[2-[4-[4-(3-methylpentyl)cyclohexyl]phenyl]ethyl]-1-(trifluoromethyl)benzene.
What is the SMILES notation for 2-fluoro-4-[2-[4-[4-(3-methylpentyl)cyclohexyl]phenyl]ethyl]-1-(trifluoromethyl)benzene?
The canonical SMILES for 2-fluoro-4-[2-[4-[4-(3-methylpentyl)cyclohexyl]phenyl]ethyl]-1-(trifluoromethyl)benzene is CCC(C)CCC1CCC(c2ccc(CCc3ccc(C(F)(F)F)c(F)c3)cc2)CC1.
What is the InChIKey of 2-fluoro-4-[2-[4-[4-(3-methylpentyl)cyclohexyl]phenyl]ethyl]-1-(trifluoromethyl)benzene?
The InChIKey is ZPBSJJDKIFMEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F4/c1-3-19(2)4-5-20-8-13-23(14-9-20)24-15-10-21(11-16-24)6-7-22-12-17-25(26(28)18-22)27(29,30)31/h10-12,15-20,23H,3-9,13-14H2,1-2H3.
What are the key properties of 2-fluoro-4-[2-[4-[4-(3-methylpentyl)cyclohexyl]phenyl]ethyl]-1-(trifluoromethyl)benzene?
2-fluoro-4-[2-[4-[4-(3-methylpentyl)cyclohexyl]phenyl]ethyl]-1-(trifluoromethyl)benzene has a molecular weight of 434.56 g/mol, XLogP of 8.73, 8 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-[4-(3-methylpentyl)cyclohexyl]phenyl]ethyl]-1-(trifluoromethyl)benzene is sourced from PubChem (CID 22373784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).