3-(2,3-difluoro-4-methylphenyl)cyclohexan-1-one

C13H14F2O — CID 103852540

IUPAC3-(2,3-difluoro-4-methylphenyl)cyclohexan-1-one
SMILESCc1ccc(C2CCCC(=O)C2)c(F)c1F
InChIInChI=1S/C13H14F2O/c1-8-5-6-11(13(15)12(8)14)9-3-2-4-10(16)7-9/h5-6,9H,2-4,7H2,1H3
InChIKeyQXPWBUBMYKXILD-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.50
Rot. Bonds1

About 3-(2,3-difluoro-4-methylphenyl)cyclohexan-1-one

3-(2,3-difluoro-4-methylphenyl)cyclohexan-1-one (PubChem CID 103852540) has the molecular formula C13H14F2O and a molecular weight of 224.25 g/mol. Its IUPAC name is 3-(2,3-difluoro-4-methylphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(2,3-difluoro-4-methylphenyl)cyclohexan-1-one
PubChem CID103852540
Molecular FormulaC13H14F2O
Molecular Weight224.25 g/mol
Exact Mass224.10
IUPAC Name3-(2,3-difluoro-4-methylphenyl)cyclohexan-1-one
SMILESCc1ccc(C2CCCC(=O)C2)c(F)c1F
InChIInChI=1S/C13H14F2O/c1-8-5-6-11(13(15)12(8)14)9-3-2-4-10(16)7-9/h5-6,9H,2-4,7H2,1H3
InChIKeyQXPWBUBMYKXILD-UHFFFAOYSA-N
XLogP3.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-fluoro-2-methylphenyl)cycloheptan-1-one
CID 64504558
3-(2,6-dimethylphenyl)cyclohexan-1-one
CID 24723962
1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene
CID 158288889
3-(4-methyl-3-pyridinyl)cycloheptan-1-one
CID 66271472
3-(4-fluoro-3-methylphenyl)cycloheptan-1-one
CID 64502911
3-(2,3-dichlorophenyl)cyclohexan-1-one
CID 64520336
3-(2,4,5-trimethylphenyl)cyclopentan-1-one
CID 64989713
3-(4-ethyl-2-methoxyphenyl)cyclohexan-1-one
CID 139337932
3-(2,4,5-trimethoxyphenyl)cyclohexan-1-one
CID 83554775
3-[2-fluoro-5-methyl-3-[methyl(propan-2-ylphosphanyl)amino]phenyl]cyclohexan-1-one
CID 167292606
(3R)-3-phenylcyclohexan-1-one
CID 11041212
2-(3-oxocyclohexyl)benzaldehyde
CID 115022556

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-4-methylphenyl)cyclohexan-1-one?
The IUPAC name of 3-(2,3-difluoro-4-methylphenyl)cyclohexan-1-one (CID 103852540) is 3-(2,3-difluoro-4-methylphenyl)cyclohexan-1-one.
What is the SMILES notation for 3-(2,3-difluoro-4-methylphenyl)cyclohexan-1-one?
The canonical SMILES for 3-(2,3-difluoro-4-methylphenyl)cyclohexan-1-one is Cc1ccc(C2CCCC(=O)C2)c(F)c1F.
What is the InChIKey of 3-(2,3-difluoro-4-methylphenyl)cyclohexan-1-one?
The InChIKey is QXPWBUBMYKXILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O/c1-8-5-6-11(13(15)12(8)14)9-3-2-4-10(16)7-9/h5-6,9H,2-4,7H2,1H3.
What are the key properties of 3-(2,3-difluoro-4-methylphenyl)cyclohexan-1-one?
3-(2,3-difluoro-4-methylphenyl)cyclohexan-1-one has a molecular weight of 224.25 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-4-methylphenyl)cyclohexan-1-one is sourced from PubChem (CID 103852540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).