2-(cyclohexen-1-yl)-1-(3-fluoro-5-methylphenyl)ethanone

C15H17FO — CID 116659845

IUPAC2-(cyclohexen-1-yl)-1-(3-fluoro-5-methylphenyl)ethanone
SMILESCc1cc(F)cc(C(=O)CC2=CCCCC2)c1
InChIInChI=1S/C15H17FO/c1-11-7-13(10-14(16)8-11)15(17)9-12-5-3-2-4-6-12/h5,7-8,10H,2-4,6,9H2,1H3
InChIKeyYGWNRVDKVVRKAR-UHFFFAOYSA-N
MW232.30 g/mol
LogP4.21
Rot. Bonds3

About 2-(cyclohexen-1-yl)-1-(3-fluoro-5-methylphenyl)ethanone

2-(cyclohexen-1-yl)-1-(3-fluoro-5-methylphenyl)ethanone (PubChem CID 116659845) has the molecular formula C15H17FO and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(3-fluoro-5-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(3-fluoro-5-methylphenyl)ethanone
PubChem CID116659845
Molecular FormulaC15H17FO
Molecular Weight232.30 g/mol
Exact Mass232.13
IUPAC Name2-(cyclohexen-1-yl)-1-(3-fluoro-5-methylphenyl)ethanone
SMILESCc1cc(F)cc(C(=O)CC2=CCCCC2)c1
InChIInChI=1S/C15H17FO/c1-11-7-13(10-14(16)8-11)15(17)9-12-5-3-2-4-6-12/h5,7-8,10H,2-4,6,9H2,1H3
InChIKeyYGWNRVDKVVRKAR-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(cyclohexen-1-yl)-1-(3-fluoro-5-methylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclohexen-1-yl)-1-(4-methylphenyl)ethanone
CID 116659602
2-(cyclohexen-1-yl)-1-(2,5-dimethylphenyl)ethanone
CID 116659694
2-(cyclohexen-1-yl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 116659700
1-(3-chloro-4-methylphenyl)-2-(cyclohexen-1-yl)ethanone
CID 107559942
2-(cyclohexen-1-yl)-1-(2-methylquinolin-6-yl)ethanone
CID 116659682
2-(cyclohexen-1-yl)-1-(3-ethylphenyl)ethanone
CID 116659787
2-chloro-1-(3-fluoro-5-methylphenyl)ethanone
CID 91636154
1-(cyclohexen-1-yl)-3-hydroxypropan-2-one
CID 130030095
1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 54980088
4-bromo-1-(3-fluoro-5-methylphenyl)butan-1-one
CID 146006918
methyl 2-(cyclohexen-1-yl)acetate
CID 11051874
1-(cycloocten-1-yl)-3-methylbutan-2-one
CID 147027331

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(3-fluoro-5-methylphenyl)ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(3-fluoro-5-methylphenyl)ethanone (CID 116659845) is 2-(cyclohexen-1-yl)-1-(3-fluoro-5-methylphenyl)ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(3-fluoro-5-methylphenyl)ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(3-fluoro-5-methylphenyl)ethanone is Cc1cc(F)cc(C(=O)CC2=CCCCC2)c1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(3-fluoro-5-methylphenyl)ethanone?
The InChIKey is YGWNRVDKVVRKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO/c1-11-7-13(10-14(16)8-11)15(17)9-12-5-3-2-4-6-12/h5,7-8,10H,2-4,6,9H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-(3-fluoro-5-methylphenyl)ethanone?
2-(cyclohexen-1-yl)-1-(3-fluoro-5-methylphenyl)ethanone has a molecular weight of 232.30 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(3-fluoro-5-methylphenyl)ethanone is sourced from PubChem (CID 116659845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).