1-(4-fluoro-3-methylbenzoyl)cyclopropane-1-carbonitrile

C12H10FNO — CID 116920794

IUPAC1-(4-fluoro-3-methylbenzoyl)cyclopropane-1-carbonitrile
SMILESCc1cc(C(=O)C2(C#N)CC2)ccc1F
InChIInChI=1S/C12H10FNO/c1-8-6-9(2-3-10(8)13)11(15)12(7-14)4-5-12/h2-3,6H,4-5H2,1H3
InChIKeyZPVNKPQCPNDVTJ-UHFFFAOYSA-N
MW203.22 g/mol
LogP2.62
Rot. Bonds2

About 1-(4-fluoro-3-methylbenzoyl)cyclopropane-1-carbonitrile

1-(4-fluoro-3-methylbenzoyl)cyclopropane-1-carbonitrile (PubChem CID 116920794) has the molecular formula C12H10FNO and a molecular weight of 203.22 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylbenzoyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-fluoro-3-methylbenzoyl)cyclopropane-1-carbonitrile
PubChem CID116920794
Molecular FormulaC12H10FNO
Molecular Weight203.22 g/mol
Exact Mass203.07
IUPAC Name1-(4-fluoro-3-methylbenzoyl)cyclopropane-1-carbonitrile
SMILESCc1cc(C(=O)C2(C#N)CC2)ccc1F
InChIInChI=1S/C12H10FNO/c1-8-6-9(2-3-10(8)13)11(15)12(7-14)4-5-12/h2-3,6H,4-5H2,1H3
InChIKeyZPVNKPQCPNDVTJ-UHFFFAOYSA-N
XLogP2.62
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluoro-3-methylbenzoyl)cyclopropane-1-carbonitrile 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

1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide
CID 62812690
1-(4-ethoxy-3-fluorobenzoyl)cyclobutane-1-carbonitrile
CID 116921519
1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone
CID 82075088
1-(2-methyl-3H-benzimidazole-5-carbonyl)cyclopropane-1-carbonitrile
CID 116920882
4-(4-chlorobenzoyl)oxane-4-carbonitrile
CID 97035179
1-(3-methylbenzoyl)cyclopentane-1-carbonitrile
CID 102358495
1-adamantyl-(4-fluoro-3-methylphenyl)methanone
CID 62796901
1-(1,3-benzodioxole-5-carbonyl)cyclopropane-1-carbonitrile
CID 116920811
(4-fluoro-3-methylphenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116570075
1-cyano-N-(2,5-difluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 103586091
1-(4,5-dimethoxy-2-methylbenzoyl)cyclopropane-1-carbonitrile
CID 116920860
1-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)cyclopropane-1-carbonitrile
CID 116920880

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylbenzoyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(4-fluoro-3-methylbenzoyl)cyclopropane-1-carbonitrile (CID 116920794) is 1-(4-fluoro-3-methylbenzoyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(4-fluoro-3-methylbenzoyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(4-fluoro-3-methylbenzoyl)cyclopropane-1-carbonitrile is Cc1cc(C(=O)C2(C#N)CC2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylbenzoyl)cyclopropane-1-carbonitrile?
The InChIKey is ZPVNKPQCPNDVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO/c1-8-6-9(2-3-10(8)13)11(15)12(7-14)4-5-12/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-(4-fluoro-3-methylbenzoyl)cyclopropane-1-carbonitrile?
1-(4-fluoro-3-methylbenzoyl)cyclopropane-1-carbonitrile has a molecular weight of 203.22 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylbenzoyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 116920794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).