5-[4-[4-(cyclopentylmethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene

C24H27F3 — CID 67686334

IUPAC5-[4-[4-(cyclopentylmethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene
SMILESFc1cc(-c2ccc(C3CCC(CC4CCCC4)CC3)cc2)cc(F)c1F
InChIInChI=1S/C24H27F3/c25-22-14-21(15-23(26)24(22)27)20-11-9-19(10-12-20)18-7-5-17(6-8-18)13-16-3-1-2-4-16/h9-12,14-18H,1-8,13H2
InChIKeyOBGVBHLIVOJAOZ-UHFFFAOYSA-N
MW372.47 g/mol
LogP7.62
Rot. Bonds4

About 5-[4-[4-(cyclopentylmethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene

5-[4-[4-(cyclopentylmethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene (PubChem CID 67686334) has the molecular formula C24H27F3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 5-[4-[4-(cyclopentylmethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene.

Molecular Properties

Compound Name5-[4-[4-(cyclopentylmethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene
PubChem CID67686334
Molecular FormulaC24H27F3
Molecular Weight372.47 g/mol
Exact Mass372.21
IUPAC Name5-[4-[4-(cyclopentylmethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene
SMILESFc1cc(-c2ccc(C3CCC(CC4CCCC4)CC3)cc2)cc(F)c1F
InChIInChI=1S/C24H27F3/c25-22-14-21(15-23(26)24(22)27)20-11-9-19(10-12-20)18-7-5-17(6-8-18)13-16-3-1-2-4-16/h9-12,14-18H,1-8,13H2
InChIKeyOBGVBHLIVOJAOZ-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-[4-[4-(2-cyclopentylethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene
CID 67685950
1,2,3-trifluoro-5-[4-[4-(fluoromethyl)cyclohexyl]phenyl]benzene
CID 59938749
1,2,3-trifluoro-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]benzene
CID 20596680
1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 157263040
CID 162030737
CID 162030737
4-[4-(cyclohexylmethyl)cyclohexyl]-2-fluoro-1-methylbenzene
CID 54260126
5-[4-[(4-tert-butylcyclohexyl)methyl]cyclohexyl]-1,2,3-trifluorobenzene
CID 163900040
2-propyl-6-[4-(3,4,5-trifluorophenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384631
1-butyl-4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]cycloheptane
CID 118360348
1-cyclopentyl-2-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]cyclohexyl]ethanone
CID 59794718
1-[4-(4-butylcyclohexyl)phenyl]-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene
CID 118912527
4-[4-(4-cyclohexylcyclohexyl)phenyl]-1,2-difluorobenzene
CID 134241732

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(cyclopentylmethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene?
The IUPAC name of 5-[4-[4-(cyclopentylmethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene (CID 67686334) is 5-[4-[4-(cyclopentylmethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene.
What is the SMILES notation for 5-[4-[4-(cyclopentylmethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene?
The canonical SMILES for 5-[4-[4-(cyclopentylmethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene is Fc1cc(-c2ccc(C3CCC(CC4CCCC4)CC3)cc2)cc(F)c1F.
What is the InChIKey of 5-[4-[4-(cyclopentylmethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene?
The InChIKey is OBGVBHLIVOJAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3/c25-22-14-21(15-23(26)24(22)27)20-11-9-19(10-12-20)18-7-5-17(6-8-18)13-16-3-1-2-4-16/h9-12,14-18H,1-8,13H2.
What are the key properties of 5-[4-[4-(cyclopentylmethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene?
5-[4-[4-(cyclopentylmethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene has a molecular weight of 372.47 g/mol, XLogP of 7.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(cyclopentylmethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene is sourced from PubChem (CID 67686334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).