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

C12H13FO — CID 130847822

IUPAC1-[2-(2-fluoro-3-methylphenyl)cyclopropyl]ethanone
SMILESCC(=O)C1CC1c1cccc(C)c1F
InChIInChI=1S/C12H13FO/c1-7-4-3-5-9(12(7)13)11-6-10(11)8(2)14/h3-5,10-11H,6H2,1-2H3
InChIKeyAFPVMBIZJMGJMU-UHFFFAOYSA-N
MW192.23 g/mol
LogP2.83
Rot. Bonds2

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

1-[2-(2-fluoro-3-methylphenyl)cyclopropyl]ethanone (PubChem CID 130847822) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 1-[2-(2-fluoro-3-methylphenyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-fluoro-3-methylphenyl)cyclopropyl]ethanone
PubChem CID130847822
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name1-[2-(2-fluoro-3-methylphenyl)cyclopropyl]ethanone
SMILESCC(=O)C1CC1c1cccc(C)c1F
InChIInChI=1S/C12H13FO/c1-7-4-3-5-9(12(7)13)11-6-10(11)8(2)14/h3-5,10-11H,6H2,1-2H3
InChIKeyAFPVMBIZJMGJMU-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

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Related Compounds

1-[2-(4-bromo-2-fluorophenyl)cyclopropyl]ethanone
CID 43364567
1-[2-(3-fluoro-4-methylphenyl)cyclopropyl]ethanone
CID 63645174
2-(2-chloro-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 68636272
methyl 2-(2-amino-3-methylphenyl)cyclopropane-1-carboxylate
CID 171446432
1-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]ethanone
CID 39057983
cis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 94361039
1-[(1S)-2-(2-propoxyphenyl)cyclopropyl]ethanone
CID 43828941
1-[2-(3-cyclopropylphenyl)cyclopropyl]ethanone
CID 79980851
(2S)-2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119238212
2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225395
N-(diethylsulfamoyl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide
CID 154749510
[(1R,2S)-2-(2,3-difluorophenyl)cyclopropyl]-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124590610

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-3-methylphenyl)cyclopropyl]ethanone?
The IUPAC name of 1-[2-(2-fluoro-3-methylphenyl)cyclopropyl]ethanone (CID 130847822) is 1-[2-(2-fluoro-3-methylphenyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[2-(2-fluoro-3-methylphenyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[2-(2-fluoro-3-methylphenyl)cyclopropyl]ethanone is CC(=O)C1CC1c1cccc(C)c1F.
What is the InChIKey of 1-[2-(2-fluoro-3-methylphenyl)cyclopropyl]ethanone?
The InChIKey is AFPVMBIZJMGJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c1-7-4-3-5-9(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-(2-fluoro-3-methylphenyl)cyclopropyl]ethanone?
1-[2-(2-fluoro-3-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-(2-fluoro-3-methylphenyl)cyclopropyl]ethanone is sourced from PubChem (CID 130847822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).