4-(2,6-difluoro-3-methylphenyl)cyclohexan-1-one

C13H14F2O — CID 83261660

IUPAC4-(2,6-difluoro-3-methylphenyl)cyclohexan-1-one
SMILESCc1ccc(F)c(C2CCC(=O)CC2)c1F
InChIInChI=1S/C13H14F2O/c1-8-2-7-11(14)12(13(8)15)9-3-5-10(16)6-4-9/h2,7,9H,3-6H2,1H3
InChIKeyUVILLTCGQFIEIO-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.50
Rot. Bonds1

About 4-(2,6-difluoro-3-methylphenyl)cyclohexan-1-one

4-(2,6-difluoro-3-methylphenyl)cyclohexan-1-one (PubChem CID 83261660) has the molecular formula C13H14F2O and a molecular weight of 224.25 g/mol. Its IUPAC name is 4-(2,6-difluoro-3-methylphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(2,6-difluoro-3-methylphenyl)cyclohexan-1-one
PubChem CID83261660
Molecular FormulaC13H14F2O
Molecular Weight224.25 g/mol
Exact Mass224.10
IUPAC Name4-(2,6-difluoro-3-methylphenyl)cyclohexan-1-one
SMILESCc1ccc(F)c(C2CCC(=O)CC2)c1F
InChIInChI=1S/C13H14F2O/c1-8-2-7-11(14)12(13(8)15)9-3-5-10(16)6-4-9/h2,7,9H,3-6H2,1H3
InChIKeyUVILLTCGQFIEIO-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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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-3-methylphenyl)cyclohexan-1-one?
The IUPAC name of 4-(2,6-difluoro-3-methylphenyl)cyclohexan-1-one (CID 83261660) is 4-(2,6-difluoro-3-methylphenyl)cyclohexan-1-one.
What is the SMILES notation for 4-(2,6-difluoro-3-methylphenyl)cyclohexan-1-one?
The canonical SMILES for 4-(2,6-difluoro-3-methylphenyl)cyclohexan-1-one is Cc1ccc(F)c(C2CCC(=O)CC2)c1F.
What is the InChIKey of 4-(2,6-difluoro-3-methylphenyl)cyclohexan-1-one?
The InChIKey is UVILLTCGQFIEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O/c1-8-2-7-11(14)12(13(8)15)9-3-5-10(16)6-4-9/h2,7,9H,3-6H2,1H3.
What are the key properties of 4-(2,6-difluoro-3-methylphenyl)cyclohexan-1-one?
4-(2,6-difluoro-3-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 4-(2,6-difluoro-3-methylphenyl)cyclohexan-1-one is sourced from PubChem (CID 83261660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).