1-(4-fluoro-2-methylphenyl)ethanone

C9H9FO — CID 3494772

IUPAC1-(4-fluoro-2-methylphenyl)ethanone
SMILESCC(=O)c1ccc(F)cc1C
InChIInChI=1S/C9H9FO/c1-6-5-8(10)3-4-9(6)7(2)11/h3-5H,1-2H3
InChIKeyGCTZPACJEUDZAX-UHFFFAOYSA-N
MW152.17 g/mol
LogP2.34
Rot. Bonds1

About 1-(4-fluoro-2-methylphenyl)ethanone

1-(4-fluoro-2-methylphenyl)ethanone (PubChem CID 3494772) has the molecular formula C9H9FO and a molecular weight of 152.17 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)ethanone
PubChem CID3494772
Molecular FormulaC9H9FO
Molecular Weight152.17 g/mol
Exact Mass152.06
IUPAC Name1-(4-fluoro-2-methylphenyl)ethanone
SMILESCC(=O)c1ccc(F)cc1C
InChIInChI=1S/C9H9FO/c1-6-5-8(10)3-4-9(6)7(2)11/h3-5H,1-2H3
InChIKeyGCTZPACJEUDZAX-UHFFFAOYSA-N
XLogP2.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-2-methylphenyl)butane-1,3-dione
CID 55262326
4-fluoro-N,N,2-trimethylbenzamide
CID 115745346
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 81273528
N'-acetyl-4-fluoro-2-methylbenzohydrazide
CID 115745372
1-(5-fluoro-2-phosphanylphenyl)ethanone
CID 145488080
2-acetyl-5-fluorobenzoic acid
CID 117279010
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanone
CID 12739979
1-[2-(4-fluoro-2-methylphenyl)phenyl]ethanone
CID 54912608
1-(4-acetyl-3-methylphenyl)ethanone;1-(4-acetylphenyl)ethanone
CID 54481190
3-amino-1-(4-fluoro-2-methylphenyl)-2-methylbutan-1-one
CID 116612404
1-[2-(2,3-dimethylphenyl)-4-fluorophenyl]ethanone
CID 114068433
4-fluoro-2-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 115745629

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)ethanone (CID 3494772) is 1-(4-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)ethanone is CC(=O)c1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)ethanone?
The InChIKey is GCTZPACJEUDZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO/c1-6-5-8(10)3-4-9(6)7(2)11/h3-5H,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)ethanone?
1-(4-fluoro-2-methylphenyl)ethanone has a molecular weight of 152.17 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 3494772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).