2-(4-fluoro-3-methylphenyl)cyclohexan-1-one

C13H15FO — CID 21082585

IUPAC2-(4-fluoro-3-methylphenyl)cyclohexan-1-one
SMILESCc1cc(C2CCCCC2=O)ccc1F
InChIInChI=1S/C13H15FO/c1-9-8-10(6-7-12(9)14)11-4-2-3-5-13(11)15/h6-8,11H,2-5H2,1H3
InChIKeyBCFMHHWLGVFXNC-UHFFFAOYSA-N
MW206.26 g/mol
LogP3.36
Rot. Bonds1

About 2-(4-fluoro-3-methylphenyl)cyclohexan-1-one

2-(4-fluoro-3-methylphenyl)cyclohexan-1-one (PubChem CID 21082585) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)cyclohexan-1-one
PubChem CID21082585
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name2-(4-fluoro-3-methylphenyl)cyclohexan-1-one
SMILESCc1cc(C2CCCCC2=O)ccc1F
InChIInChI=1S/C13H15FO/c1-9-8-10(6-7-12(9)14)11-4-2-3-5-13(11)15/h6-8,11H,2-5H2,1H3
InChIKeyBCFMHHWLGVFXNC-UHFFFAOYSA-N
XLogP3.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)cyclohexan-1-one?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)cyclohexan-1-one (CID 21082585) is 2-(4-fluoro-3-methylphenyl)cyclohexan-1-one.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)cyclohexan-1-one?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)cyclohexan-1-one is Cc1cc(C2CCCCC2=O)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)cyclohexan-1-one?
The InChIKey is BCFMHHWLGVFXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO/c1-9-8-10(6-7-12(9)14)11-4-2-3-5-13(11)15/h6-8,11H,2-5H2,1H3.
What are the key properties of 2-(4-fluoro-3-methylphenyl)cyclohexan-1-one?
2-(4-fluoro-3-methylphenyl)cyclohexan-1-one has a molecular weight of 206.26 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)cyclohexan-1-one is sourced from PubChem (CID 21082585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).