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

C25H29F3 — CID 67685950

IUPAC5-[4-[4-(2-cyclopentylethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene
SMILESFc1cc(-c2ccc(C3CCC(CCC4CCCC4)CC3)cc2)cc(F)c1F
InChIInChI=1S/C25H29F3/c26-23-15-22(16-24(27)25(23)28)21-13-11-20(12-14-21)19-9-7-18(8-10-19)6-5-17-3-1-2-4-17/h11-19H,1-10H2
InChIKeyJWYCTXMRAONLPU-UHFFFAOYSA-N
MW386.50 g/mol
LogP8.02
Rot. Bonds5

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

5-[4-[4-(2-cyclopentylethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene (PubChem CID 67685950) has the molecular formula C25H29F3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 5-[4-[4-(2-cyclopentylethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene.

Molecular Properties

Compound Name5-[4-[4-(2-cyclopentylethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene
PubChem CID67685950
Molecular FormulaC25H29F3
Molecular Weight386.50 g/mol
Exact Mass386.22
IUPAC Name5-[4-[4-(2-cyclopentylethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene
SMILESFc1cc(-c2ccc(C3CCC(CCC4CCCC4)CC3)cc2)cc(F)c1F
InChIInChI=1S/C25H29F3/c26-23-15-22(16-24(27)25(23)28)21-13-11-20(12-14-21)19-9-7-18(8-10-19)6-5-17-3-1-2-4-17/h11-19H,1-10H2
InChIKeyJWYCTXMRAONLPU-UHFFFAOYSA-N
XLogP8.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 58.02
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-(cyclopentylmethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene
CID 67686334
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
CID 162030737
CID 162030737
1-butyl-4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]cycloheptane
CID 118360348
2-propyl-6-[4-(3,4,5-trifluorophenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384631
1-[4-(4-butylcyclohexyl)phenyl]-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene
CID 118912527
1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 157263040
1,3-difluoro-5-[4-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]phenyl]-2-(trifluoromethyl)benzene
CID 163936290
2-[3,3-difluoro-3-(3,4,5-trifluorophenoxy)propyl]-1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]benzene
CID 59048966
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[4-[4-(methoxymethyl)cyclohexyl]phenyl]benzene
CID 134222832
2-heptyl-6-[4-(3,4,5-trifluorophenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384775

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(2-cyclopentylethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene?
The IUPAC name of 5-[4-[4-(2-cyclopentylethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene (CID 67685950) is 5-[4-[4-(2-cyclopentylethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene.
What is the SMILES notation for 5-[4-[4-(2-cyclopentylethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene?
The canonical SMILES for 5-[4-[4-(2-cyclopentylethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene is Fc1cc(-c2ccc(C3CCC(CCC4CCCC4)CC3)cc2)cc(F)c1F.
What is the InChIKey of 5-[4-[4-(2-cyclopentylethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene?
The InChIKey is JWYCTXMRAONLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3/c26-23-15-22(16-24(27)25(23)28)21-13-11-20(12-14-21)19-9-7-18(8-10-19)6-5-17-3-1-2-4-17/h11-19H,1-10H2.
What are the key properties of 5-[4-[4-(2-cyclopentylethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene?
5-[4-[4-(2-cyclopentylethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene has a molecular weight of 386.50 g/mol, XLogP of 8.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(2-cyclopentylethyl)cyclohexyl]phenyl]-1,2,3-trifluorobenzene is sourced from PubChem (CID 67685950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).