1-[2-[cyclopropyl(fluoro)methyl]phenyl]ethanone

C12H13FO — CID 115019022

IUPAC1-[2-[cyclopropyl(fluoro)methyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1C(F)C1CC1
InChIInChI=1S/C12H13FO/c1-8(14)10-4-2-3-5-11(10)12(13)9-6-7-9/h2-5,9,12H,6-7H2,1H3
InChIKeyILJPKCZTNIKFPR-UHFFFAOYSA-N
MW192.23 g/mol
LogP3.31
Rot. Bonds3

About 1-[2-[cyclopropyl(fluoro)methyl]phenyl]ethanone

1-[2-[cyclopropyl(fluoro)methyl]phenyl]ethanone (PubChem CID 115019022) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(fluoro)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[cyclopropyl(fluoro)methyl]phenyl]ethanone
PubChem CID115019022
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name1-[2-[cyclopropyl(fluoro)methyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1C(F)C1CC1
InChIInChI=1S/C12H13FO/c1-8(14)10-4-2-3-5-11(10)12(13)9-6-7-9/h2-5,9,12H,6-7H2,1H3
InChIKeyILJPKCZTNIKFPR-UHFFFAOYSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(difluoromethyl)-2-methylphenyl]ethanone
CID 138750714
3-(2-acetylphenyl)butan-2-one
CID 171562891
2-[cyclopropyl(fluoro)methyl]benzaldehyde
CID 115015123
1-[2-[(1,1-dioxothiolan-3-yl)-hydroxymethyl]phenyl]ethanone
CID 115050015
1-[2-(1-methoxyethyl)phenyl]ethanone
CID 86011616
1-(2-acetylphenyl)ethanone;methane
CID 158210616
1-[2-(1-hydroxyprop-2-enyl)phenyl]ethanone
CID 89057752
dimethyl 2-(2-acetylphenyl)propanedioate
CID 102293568
2-(1-cyclohexylethyl)benzoic acid
CID 115038988
1-[2-(4-aminocyclohexyl)oxyphenyl]ethanone
CID 117051794
ethane;1-(2-methylphenyl)ethanone
CID 91374073
1-[2-[1-(2-methoxyphenyl)ethyl]phenyl]ethanone
CID 135058931

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(fluoro)methyl]phenyl]ethanone?
The IUPAC name of 1-[2-[cyclopropyl(fluoro)methyl]phenyl]ethanone (CID 115019022) is 1-[2-[cyclopropyl(fluoro)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[cyclopropyl(fluoro)methyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[cyclopropyl(fluoro)methyl]phenyl]ethanone is CC(=O)c1ccccc1C(F)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(fluoro)methyl]phenyl]ethanone?
The InChIKey is ILJPKCZTNIKFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c1-8(14)10-4-2-3-5-11(10)12(13)9-6-7-9/h2-5,9,12H,6-7H2,1H3.
What are the key properties of 1-[2-[cyclopropyl(fluoro)methyl]phenyl]ethanone?
1-[2-[cyclopropyl(fluoro)methyl]phenyl]ethanone has a molecular weight of 192.23 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(fluoro)methyl]phenyl]ethanone is sourced from PubChem (CID 115019022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).