1-[2-(3-fluoro-4-methylphenyl)cyclopropyl]ethanone

C12H13FO — CID 63645174

IUPAC1-[2-(3-fluoro-4-methylphenyl)cyclopropyl]ethanone
SMILESCC(=O)C1CC1c1ccc(C)c(F)c1
InChIInChI=1S/C12H13FO/c1-7-3-4-9(5-12(7)13)11-6-10(11)8(2)14/h3-5,10-11H,6H2,1-2H3
InChIKeyVXDYNRAULRNSRN-UHFFFAOYSA-N
MW192.23 g/mol
LogP2.83
Rot. Bonds2

About 1-[2-(3-fluoro-4-methylphenyl)cyclopropyl]ethanone

1-[2-(3-fluoro-4-methylphenyl)cyclopropyl]ethanone (PubChem CID 63645174) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 1-[2-(3-fluoro-4-methylphenyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[2-(3-fluoro-4-methylphenyl)cyclopropyl]ethanone
PubChem CID63645174
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name1-[2-(3-fluoro-4-methylphenyl)cyclopropyl]ethanone
SMILESCC(=O)C1CC1c1ccc(C)c(F)c1
InChIInChI=1S/C12H13FO/c1-7-3-4-9(5-12(7)13)11-6-10(11)8(2)14/h3-5,10-11H,6H2,1-2H3
InChIKeyVXDYNRAULRNSRN-UHFFFAOYSA-N
XLogP2.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[2-(3-fluoro-4-methylphenyl)cyclopropyl]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

1-[2-(3-bromo-4-methylphenyl)cyclopropyl]ethanone
CID 105407809
1-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]ethanone
CID 39057983
1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone
CID 1475633
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 51888152
1-[2-(3-cyclopropylphenyl)cyclopropyl]ethanone
CID 79980851
cis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
CID 124562405
1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone
CID 93025354
2-(3-fluoro-4-methylphenyl)cyclopentan-1-ol
CID 2759027
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone
CID 39239299
1-[2-(2-fluoro-3-methylphenyl)cyclopropyl]ethanone
CID 130847822
4-(3-fluoro-4-methylphenyl)-5-methylpyrrolidin-2-one
CID 66109341

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-4-methylphenyl)cyclopropyl]ethanone?
The IUPAC name of 1-[2-(3-fluoro-4-methylphenyl)cyclopropyl]ethanone (CID 63645174) is 1-[2-(3-fluoro-4-methylphenyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[2-(3-fluoro-4-methylphenyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[2-(3-fluoro-4-methylphenyl)cyclopropyl]ethanone is CC(=O)C1CC1c1ccc(C)c(F)c1.
What is the InChIKey of 1-[2-(3-fluoro-4-methylphenyl)cyclopropyl]ethanone?
The InChIKey is VXDYNRAULRNSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c1-7-3-4-9(5-12(7)13)11-6-10(11)8(2)14/h3-5,10-11H,6H2,1-2H3.
What are the key properties of 1-[2-(3-fluoro-4-methylphenyl)cyclopropyl]ethanone?
1-[2-(3-fluoro-4-methylphenyl)cyclopropyl]ethanone has a molecular weight of 192.23 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-4-methylphenyl)cyclopropyl]ethanone is sourced from PubChem (CID 63645174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).