2-(4-fluoro-3-methylphenyl)cyclopent-2-en-1-one

C12H11FO — CID 11469549

IUPAC2-(4-fluoro-3-methylphenyl)cyclopent-2-en-1-one
SMILESCc1cc(C2=CCCC2=O)ccc1F
InChIInChI=1S/C12H11FO/c1-8-7-9(5-6-11(8)13)10-3-2-4-12(10)14/h3,5-7H,2,4H2,1H3
InChIKeyVIKMHYQIVLLCTF-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.88
Rot. Bonds1

About 2-(4-fluoro-3-methylphenyl)cyclopent-2-en-1-one

2-(4-fluoro-3-methylphenyl)cyclopent-2-en-1-one (PubChem CID 11469549) has the molecular formula C12H11FO and a molecular weight of 190.22 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)cyclopent-2-en-1-one
PubChem CID11469549
Molecular FormulaC12H11FO
Molecular Weight190.22 g/mol
Exact Mass190.08
IUPAC Name2-(4-fluoro-3-methylphenyl)cyclopent-2-en-1-one
SMILESCc1cc(C2=CCCC2=O)ccc1F
InChIInChI=1S/C12H11FO/c1-8-7-9(5-6-11(8)13)10-3-2-4-12(10)14/h3,5-7H,2,4H2,1H3
InChIKeyVIKMHYQIVLLCTF-UHFFFAOYSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.88
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)cyclopent-2-en-1-one?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)cyclopent-2-en-1-one (CID 11469549) is 2-(4-fluoro-3-methylphenyl)cyclopent-2-en-1-one.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)cyclopent-2-en-1-one?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)cyclopent-2-en-1-one is Cc1cc(C2=CCCC2=O)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)cyclopent-2-en-1-one?
The InChIKey is VIKMHYQIVLLCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO/c1-8-7-9(5-6-11(8)13)10-3-2-4-12(10)14/h3,5-7H,2,4H2,1H3.
What are the key properties of 2-(4-fluoro-3-methylphenyl)cyclopent-2-en-1-one?
2-(4-fluoro-3-methylphenyl)cyclopent-2-en-1-one has a molecular weight of 190.22 g/mol, XLogP of 2.88, 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)cyclopent-2-en-1-one is sourced from PubChem (CID 11469549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).