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

C15H17FO — CID 103449970

IUPAC1-(cyclohexen-1-yl)-2-(5-fluoro-2-methylphenyl)ethanone
SMILESCc1ccc(F)cc1CC(=O)C1=CCCCC1
InChIInChI=1S/C15H17FO/c1-11-7-8-14(16)9-13(11)10-15(17)12-5-3-2-4-6-12/h5,7-9H,2-4,6,10H2,1H3
InChIKeyPELLONZTCZIBDY-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.75
Rot. Bonds3

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

1-(cyclohexen-1-yl)-2-(5-fluoro-2-methylphenyl)ethanone (PubChem CID 103449970) has the molecular formula C15H17FO and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-(5-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-(5-fluoro-2-methylphenyl)ethanone
PubChem CID103449970
Molecular FormulaC15H17FO
Molecular Weight232.30 g/mol
Exact Mass232.13
IUPAC Name1-(cyclohexen-1-yl)-2-(5-fluoro-2-methylphenyl)ethanone
SMILESCc1ccc(F)cc1CC(=O)C1=CCCCC1
InChIInChI=1S/C15H17FO/c1-11-7-8-14(16)9-13(11)10-15(17)12-5-3-2-4-6-12/h5,7-9H,2-4,6,10H2,1H3
InChIKeyPELLONZTCZIBDY-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-(5-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 1-(cyclohexen-1-yl)-2-(5-fluoro-2-methylphenyl)ethanone (CID 103449970) is 1-(cyclohexen-1-yl)-2-(5-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-(5-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-(5-fluoro-2-methylphenyl)ethanone is Cc1ccc(F)cc1CC(=O)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-(5-fluoro-2-methylphenyl)ethanone?
The InChIKey is PELLONZTCZIBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO/c1-11-7-8-14(16)9-13(11)10-15(17)12-5-3-2-4-6-12/h5,7-9H,2-4,6,10H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-(5-fluoro-2-methylphenyl)ethanone?
1-(cyclohexen-1-yl)-2-(5-fluoro-2-methylphenyl)ethanone has a molecular weight of 232.30 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-(5-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 103449970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).