2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylheptyl)phenyl]benzene

C27H37F — CID 118409749

IUPAC2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylheptyl)phenyl]benzene
SMILESCCCC(C)CCCc1ccc(-c2ccc(C3CCC(C)CC3)c(F)c2)cc1
InChIInChI=1S/C27H37F/c1-4-6-20(2)7-5-8-22-11-15-23(16-12-22)25-17-18-26(27(28)19-25)24-13-9-21(3)10-14-24/h11-12,15-21,24H,4-10,13-14H2,1-3H3
InChIKeyLMRQVMWCMYVPJO-UHFFFAOYSA-N
MW380.59 g/mol
LogP8.55
Rot. Bonds8

About 2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylheptyl)phenyl]benzene

2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylheptyl)phenyl]benzene (PubChem CID 118409749) has the molecular formula C27H37F and a molecular weight of 380.59 g/mol. Its IUPAC name is 2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylheptyl)phenyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylheptyl)phenyl]benzene
PubChem CID118409749
Molecular FormulaC27H37F
Molecular Weight380.59 g/mol
Exact Mass380.29
IUPAC Name2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylheptyl)phenyl]benzene
SMILESCCCC(C)CCCc1ccc(-c2ccc(C3CCC(C)CC3)c(F)c2)cc1
InChIInChI=1S/C27H37F/c1-4-6-20(2)7-5-8-22-11-15-23(16-12-22)25-17-18-26(27(28)19-25)24-13-9-21(3)10-14-24/h11-12,15-21,24H,4-10,13-14H2,1-3H3
InChIKeyLMRQVMWCMYVPJO-UHFFFAOYSA-N
XLogP8.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.59
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
CID 54571988
2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
CID 158317433
1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene
CID 143772392
4-(4-but-3-enylphenyl)-1-(4-ethylcyclohexyl)-2-fluorobenzene
CID 139749384
4-(4-but-3-enylphenyl)-2-fluoro-1-(4-pentoxycyclohexyl)benzene
CID 139749280
2-fluoro-4-[4-[(E)-pent-3-enyl]phenyl]-1-(4-pentoxycyclohexyl)benzene
CID 139749316
1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene
CID 71422815
2-fluoro-4-methyl-1-(4-methylcyclohexyl)benzene
CID 126578544
2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-(4-methylphenyl)benzene
CID 129171181
2,3-difluoro-1-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-4-prop-2-enylbenzene
CID 67730556
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 129065279
1-dodecoxy-2-fluoro-4-[4-(6-methyloctyl)phenyl]benzene
CID 21248151

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylheptyl)phenyl]benzene?
The IUPAC name of 2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylheptyl)phenyl]benzene (CID 118409749) is 2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylheptyl)phenyl]benzene.
What is the SMILES notation for 2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylheptyl)phenyl]benzene?
The canonical SMILES for 2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylheptyl)phenyl]benzene is CCCC(C)CCCc1ccc(-c2ccc(C3CCC(C)CC3)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylheptyl)phenyl]benzene?
The InChIKey is LMRQVMWCMYVPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37F/c1-4-6-20(2)7-5-8-22-11-15-23(16-12-22)25-17-18-26(27(28)19-25)24-13-9-21(3)10-14-24/h11-12,15-21,24H,4-10,13-14H2,1-3H3.
What are the key properties of 2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylheptyl)phenyl]benzene?
2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylheptyl)phenyl]benzene has a molecular weight of 380.59 g/mol, XLogP of 8.55, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylheptyl)phenyl]benzene is sourced from PubChem (CID 118409749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).