1-[2-(3,4-dimethylphenyl)-1,1-difluoroethyl]-2-methyl-4-(4-methylcyclohexyl)benzene

C24H30F2 — CID 156648938

IUPAC1-[2-(3,4-dimethylphenyl)-1,1-difluoroethyl]-2-methyl-4-(4-methylcyclohexyl)benzene
SMILESCc1ccc(CC(F)(F)c2ccc(C3CCC(C)CC3)cc2C)cc1C
InChIInChI=1S/C24H30F2/c1-16-5-9-21(10-6-16)22-11-12-23(19(4)14-22)24(25,26)15-20-8-7-17(2)18(3)13-20/h7-8,11-14,16,21H,5-6,9-10,15H2,1-4H3
InChIKeyXMBNNNYBPKPNAE-UHFFFAOYSA-N
MW356.50 g/mol
LogP7.24
Rot. Bonds4

About 1-[2-(3,4-dimethylphenyl)-1,1-difluoroethyl]-2-methyl-4-(4-methylcyclohexyl)benzene

1-[2-(3,4-dimethylphenyl)-1,1-difluoroethyl]-2-methyl-4-(4-methylcyclohexyl)benzene (PubChem CID 156648938) has the molecular formula C24H30F2 and a molecular weight of 356.50 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylphenyl)-1,1-difluoroethyl]-2-methyl-4-(4-methylcyclohexyl)benzene.

Molecular Properties

Compound Name1-[2-(3,4-dimethylphenyl)-1,1-difluoroethyl]-2-methyl-4-(4-methylcyclohexyl)benzene
PubChem CID156648938
Molecular FormulaC24H30F2
Molecular Weight356.50 g/mol
Exact Mass356.23
IUPAC Name1-[2-(3,4-dimethylphenyl)-1,1-difluoroethyl]-2-methyl-4-(4-methylcyclohexyl)benzene
SMILESCc1ccc(CC(F)(F)c2ccc(C3CCC(C)CC3)cc2C)cc1C
InChIInChI=1S/C24H30F2/c1-16-5-9-21(10-6-16)22-11-12-23(19(4)14-22)24(25,26)15-20-8-7-17(2)18(3)13-20/h7-8,11-14,16,21H,5-6,9-10,15H2,1-4H3
InChIKeyXMBNNNYBPKPNAE-UHFFFAOYSA-N
XLogP7.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.50
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20599389
2-methyl-5-(4-methylcyclohexyl)aniline
CID 22895075
1-fluoro-2-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 23574055
4-[2-[(3,4-dimethylphenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,2-dimethylbenzene
CID 126515390
1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20579999
2-fluoro-1,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 134509872
1-(3,3-dimethylbutan-2-yl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene
CID 162223528
5-[difluoro-[2-fluoro-4-(4-methylcyclohexyl)phenyl]methyl]-1,2,3-trifluorobenzene
CID 21134601
1,2-dimethyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]benzene
CID 134199507
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
2-(4-methylcyclohexyl)-6-(trifluoromethyl)naphthalene
CID 20500358

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylphenyl)-1,1-difluoroethyl]-2-methyl-4-(4-methylcyclohexyl)benzene?
The IUPAC name of 1-[2-(3,4-dimethylphenyl)-1,1-difluoroethyl]-2-methyl-4-(4-methylcyclohexyl)benzene (CID 156648938) is 1-[2-(3,4-dimethylphenyl)-1,1-difluoroethyl]-2-methyl-4-(4-methylcyclohexyl)benzene.
What is the SMILES notation for 1-[2-(3,4-dimethylphenyl)-1,1-difluoroethyl]-2-methyl-4-(4-methylcyclohexyl)benzene?
The canonical SMILES for 1-[2-(3,4-dimethylphenyl)-1,1-difluoroethyl]-2-methyl-4-(4-methylcyclohexyl)benzene is Cc1ccc(CC(F)(F)c2ccc(C3CCC(C)CC3)cc2C)cc1C.
What is the InChIKey of 1-[2-(3,4-dimethylphenyl)-1,1-difluoroethyl]-2-methyl-4-(4-methylcyclohexyl)benzene?
The InChIKey is XMBNNNYBPKPNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2/c1-16-5-9-21(10-6-16)22-11-12-23(19(4)14-22)24(25,26)15-20-8-7-17(2)18(3)13-20/h7-8,11-14,16,21H,5-6,9-10,15H2,1-4H3.
What are the key properties of 1-[2-(3,4-dimethylphenyl)-1,1-difluoroethyl]-2-methyl-4-(4-methylcyclohexyl)benzene?
1-[2-(3,4-dimethylphenyl)-1,1-difluoroethyl]-2-methyl-4-(4-methylcyclohexyl)benzene has a molecular weight of 356.50 g/mol, XLogP of 7.24, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylphenyl)-1,1-difluoroethyl]-2-methyl-4-(4-methylcyclohexyl)benzene is sourced from PubChem (CID 156648938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).