4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]cyclohexan-1-one

C19H24F2O — CID 143909524

IUPAC4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]cyclohexan-1-one
SMILESCC1CCC(c2ccc(C3CCC(=O)CC3)c(F)c2F)CC1
InChIInChI=1S/C19H24F2O/c1-12-2-4-13(5-3-12)16-10-11-17(19(21)18(16)20)14-6-8-15(22)9-7-14/h10-14H,2-9H2,1H3
InChIKeyGQRUKAIUGYMRPG-UHFFFAOYSA-N
MW306.40 g/mol
LogP5.49
Rot. Bonds2

About 4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]cyclohexan-1-one

4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]cyclohexan-1-one (PubChem CID 143909524) has the molecular formula C19H24F2O and a molecular weight of 306.40 g/mol. Its IUPAC name is 4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]cyclohexan-1-one
PubChem CID143909524
Molecular FormulaC19H24F2O
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]cyclohexan-1-one
SMILESCC1CCC(c2ccc(C3CCC(=O)CC3)c(F)c2F)CC1
InChIInChI=1S/C19H24F2O/c1-12-2-4-13(5-3-12)16-10-11-17(19(21)18(16)20)14-6-8-15(22)9-7-14/h10-14H,2-9H2,1H3
InChIKeyGQRUKAIUGYMRPG-UHFFFAOYSA-N
XLogP5.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.40
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-2,3-difluorobenzene
CID 123193777
1-ethenyl-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 90893098
2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane
CID 142351768
[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] hypochlorite
CID 143863856
4-[4-(4-butoxyphenyl)-2,3-difluorophenyl]cyclohexan-1-one
CID 89429555
2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-5-fluorothiophene
CID 153380787
1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 20645953
[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-(4-methylcyclohexyl)methanol
CID 134358796
3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 71046263
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene
CID 157170192
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-prop-2-enylbenzene;molecular hydrogen
CID 159485452
1-ethenoxy-2,3-difluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
CID 160793122

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]cyclohexan-1-one?
The IUPAC name of 4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]cyclohexan-1-one (CID 143909524) is 4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]cyclohexan-1-one.
What is the SMILES notation for 4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]cyclohexan-1-one?
The canonical SMILES for 4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]cyclohexan-1-one is CC1CCC(c2ccc(C3CCC(=O)CC3)c(F)c2F)CC1.
What is the InChIKey of 4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]cyclohexan-1-one?
The InChIKey is GQRUKAIUGYMRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2O/c1-12-2-4-13(5-3-12)16-10-11-17(19(21)18(16)20)14-6-8-15(22)9-7-14/h10-14H,2-9H2,1H3.
What are the key properties of 4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]cyclohexan-1-one?
4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]cyclohexan-1-one has a molecular weight of 306.40 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]cyclohexan-1-one is sourced from PubChem (CID 143909524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).