1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methylbenzene

C25H36F2 — CID 170391070

IUPAC1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methylbenzene
SMILESCc1ccc(C2CCC(C3CCC(CC4CCCC4)CC3)CC2)c(F)c1F
InChIInChI=1S/C25H36F2/c1-17-6-15-23(25(27)24(17)26)22-13-11-21(12-14-22)20-9-7-19(8-10-20)16-18-4-2-3-5-18/h6,15,18-22H,2-5,7-14,16H2,1H3
InChIKeyGOWBFXDBAWOIFY-UHFFFAOYSA-N
MW374.56 g/mol
LogP7.93
Rot. Bonds4

About 1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methylbenzene

1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methylbenzene (PubChem CID 170391070) has the molecular formula C25H36F2 and a molecular weight of 374.56 g/mol. Its IUPAC name is 1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methylbenzene.

Molecular Properties

Compound Name1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methylbenzene
PubChem CID170391070
Molecular FormulaC25H36F2
Molecular Weight374.56 g/mol
Exact Mass374.28
IUPAC Name1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methylbenzene
SMILESCc1ccc(C2CCC(C3CCC(CC4CCCC4)CC3)CC2)c(F)c1F
InChIInChI=1S/C25H36F2/c1-17-6-15-23(25(27)24(17)26)22-13-11-21(12-14-22)20-9-7-19(8-10-20)16-18-4-2-3-5-18/h6,15,18-22H,2-5,7-14,16H2,1H3
InChIKeyGOWBFXDBAWOIFY-UHFFFAOYSA-N
XLogP7.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.56
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methylbenzene with MolForge

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Related Compounds

1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene
CID 158288889
[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]methanol
CID 58058777
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-ol
CID 58453704
2-butyl-6-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868866
2,3-difluoro-1-methyl-4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]benzene;rhenium
CID 173489359
2,3-difluoro-1-[4-[4-[(E)-6-fluorohex-3-enyl]cyclohexyl]cyclohexyl]-4-methylbenzene
CID 118316622
3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 71046263
4-[4-(cyclohexylmethyl)cyclohexyl]-2-fluoro-1-methylbenzene
CID 54260126
4-[4-(3-chloro-2-fluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-amine
CID 130252791
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730623
2-(2,3-difluoro-4-methylphenyl)-6-(4-ethoxycyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868812

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methylbenzene?
The IUPAC name of 1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methylbenzene (CID 170391070) is 1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methylbenzene.
What is the SMILES notation for 1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methylbenzene?
The canonical SMILES for 1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methylbenzene is Cc1ccc(C2CCC(C3CCC(CC4CCCC4)CC3)CC2)c(F)c1F.
What is the InChIKey of 1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methylbenzene?
The InChIKey is GOWBFXDBAWOIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36F2/c1-17-6-15-23(25(27)24(17)26)22-13-11-21(12-14-22)20-9-7-19(8-10-20)16-18-4-2-3-5-18/h6,15,18-22H,2-5,7-14,16H2,1H3.
What are the key properties of 1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methylbenzene?
1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methylbenzene has a molecular weight of 374.56 g/mol, XLogP of 7.93, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methylbenzene is sourced from PubChem (CID 170391070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).