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

C22H27F — CID 20599389

IUPAC2-fluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
SMILESCc1ccc(CCc2ccc(C3CCC(C)CC3)cc2)cc1F
InChIInChI=1S/C22H27F/c1-16-3-11-20(12-4-16)21-13-9-18(10-14-21)7-8-19-6-5-17(2)22(23)15-19/h5-6,9-10,13-16,20H,3-4,7-8,11-12H2,1-2H3
InChIKeyTYPGMCXMRZYJCM-UHFFFAOYSA-N
MW310.46 g/mol
LogP6.21
Rot. Bonds4

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

2-fluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene (PubChem CID 20599389) has the molecular formula C22H27F and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-fluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
PubChem CID20599389
Molecular FormulaC22H27F
Molecular Weight310.46 g/mol
Exact Mass310.21
IUPAC Name2-fluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
SMILESCc1ccc(CCc2ccc(C3CCC(C)CC3)cc2)cc1F
InChIInChI=1S/C22H27F/c1-16-3-11-20(12-4-16)21-13-9-18(10-14-21)7-8-19-6-5-17(2)22(23)15-19/h5-6,9-10,13-16,20H,3-4,7-8,11-12H2,1-2H3
InChIKeyTYPGMCXMRZYJCM-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.46
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20579999
1,3-difluoro-5-[2-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]ethyl]-2-(trifluoromethyl)benzene
CID 162555993
2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene
CID 126651890
acetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 91246286
2-methyl-1-[4-(4-methylcyclohexyl)phenyl]-4-[2-(4-methylphenyl)ethyl]benzene
CID 59931336
cyclohexylcyclohexane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 91598886
4-cyclopropyl-2-fluoro-1-methylbenzene;ethane
CID 177038852
1,3-difluoro-2,5-dimethylbenzene;bis(1,4-dimethylcyclohexane);2-fluoro-1,4-dimethylbenzene;methane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;bis(1,4-xylene)
CID 161434306
1,3-difluoro-2-methyl-5-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene
CID 118908560
2-fluoro-4-(2-iodoethyl)-1-methylbenzene
CID 90129406
[4-[4-[2-(4-chloro-3-fluorophenyl)ethyl]phenyl]cyclohexyl]-methylsilane
CID 137327410
1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-fluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 159461545

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene?
The IUPAC name of 2-fluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene (CID 20599389) is 2-fluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene.
What is the SMILES notation for 2-fluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene?
The canonical SMILES for 2-fluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene is Cc1ccc(CCc2ccc(C3CCC(C)CC3)cc2)cc1F.
What is the InChIKey of 2-fluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene?
The InChIKey is TYPGMCXMRZYJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F/c1-16-3-11-20(12-4-16)21-13-9-18(10-14-21)7-8-19-6-5-17(2)22(23)15-19/h5-6,9-10,13-16,20H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 2-fluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene?
2-fluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene has a molecular weight of 310.46 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene is sourced from PubChem (CID 20599389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).