3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene

C21H31F — CID 71046263

IUPAC3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
SMILESCc1ccc(C2CCC(C3CCC(C)CC3)CC2)c(F)c1C
InChIInChI=1S/C21H31F/c1-14-4-7-17(8-5-14)18-9-11-19(12-10-18)20-13-6-15(2)16(3)21(20)22/h6,13-14,17-19H,4-5,7-12H2,1-3H3
InChIKeyGKPWGZUVGQXWFV-UHFFFAOYSA-N
MW302.48 g/mol
LogP6.54
Rot. Bonds2

About 3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene

3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene (PubChem CID 71046263) has the molecular formula C21H31F and a molecular weight of 302.48 g/mol. Its IUPAC name is 3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
PubChem CID71046263
Molecular FormulaC21H31F
Molecular Weight302.48 g/mol
Exact Mass302.24
IUPAC Name3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
SMILESCc1ccc(C2CCC(C3CCC(C)CC3)CC2)c(F)c1C
InChIInChI=1S/C21H31F/c1-14-4-7-17(8-5-14)18-9-11-19(12-10-18)20-13-6-15(2)16(3)21(20)22/h6,13-14,17-19H,4-5,7-12H2,1-3H3
InChIKeyGKPWGZUVGQXWFV-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.48
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene
CID 158288889
4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-ol
CID 58453704
[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] hypochlorite
CID 143863856
6-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-3-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran
CID 118583470
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene
CID 157170192
[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]methanol
CID 58058777
4,6-difluoro-3-methyl-7-(4-methylcyclohexyl)dibenzofuran;molecular hydrogen
CID 160681827
2-fluoro-1,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 134509872
1,2,3-trimethyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]benzene
CID 20708971
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene;ethane
CID 142540994
4-[4-(3-chloro-2-fluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-amine
CID 130252791

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene (CID 71046263) is 3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene is Cc1ccc(C2CCC(C3CCC(C)CC3)CC2)c(F)c1C.
What is the InChIKey of 3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene?
The InChIKey is GKPWGZUVGQXWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31F/c1-14-4-7-17(8-5-14)18-9-11-19(12-10-18)20-13-6-15(2)16(3)21(20)22/h6,13-14,17-19H,4-5,7-12H2,1-3H3.
What are the key properties of 3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene?
3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene has a molecular weight of 302.48 g/mol, XLogP of 6.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 71046263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).