1-[3-(fluoromethyl)-2-methylphenyl]ethanone

C10H11FO — CID 118460978

IUPAC1-[3-(fluoromethyl)-2-methylphenyl]ethanone
SMILESCC(=O)c1cccc(CF)c1C
InChIInChI=1S/C10H11FO/c1-7-9(6-11)4-3-5-10(7)8(2)12/h3-5H,6H2,1-2H3
InChIKeyYNMQFSSDSVJVDE-UHFFFAOYSA-N
MW166.19 g/mol
LogP2.67
Rot. Bonds2

About 1-[3-(fluoromethyl)-2-methylphenyl]ethanone

1-[3-(fluoromethyl)-2-methylphenyl]ethanone (PubChem CID 118460978) has the molecular formula C10H11FO and a molecular weight of 166.19 g/mol. Its IUPAC name is 1-[3-(fluoromethyl)-2-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-(fluoromethyl)-2-methylphenyl]ethanone
PubChem CID118460978
Molecular FormulaC10H11FO
Molecular Weight166.19 g/mol
Exact Mass166.08
IUPAC Name1-[3-(fluoromethyl)-2-methylphenyl]ethanone
SMILESCC(=O)c1cccc(CF)c1C
InChIInChI=1S/C10H11FO/c1-7-9(6-11)4-3-5-10(7)8(2)12/h3-5H,6H2,1-2H3
InChIKeyYNMQFSSDSVJVDE-UHFFFAOYSA-N
XLogP2.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(fluoromethyl)-2-methylbenzoyl chloride
CID 141403868
1-[3-(fluoromethyl)-2-methoxyphenyl]ethanone
CID 84658415
1-[3-(difluoromethyl)-2-methylphenyl]ethanone
CID 138750714
1-(fluoromethyl)-2,3-dimethylbenzene
CID 15724442
1-[3-[2-(3,5-ditert-butylphenyl)ethyl]-2-methylphenyl]ethanone
CID 144776150
1-(fluoromethyl)-2,3-dimethyl-4-prop-1-en-2-ylbenzene
CID 174185530
3-acetyl-2-methylbenzenesulfonic acid
CID 23042311
N-[3-(fluoromethyl)-2-methylphenyl]prop-2-enamide
CID 122415346
1-[3-(difluoromethoxy)-2-methylphenyl]ethanone
CID 70867743
1-(2-acetyl-6-methylphenyl)propan-2-one
CID 58202287
bis(2-methyl-3-propylphenyl)methanone
CID 172692899
1-[2-(2-aminoethyl)phenyl]ethanone;ethane
CID 145089346

Frequently Asked Questions

What is the IUPAC name of 1-[3-(fluoromethyl)-2-methylphenyl]ethanone?
The IUPAC name of 1-[3-(fluoromethyl)-2-methylphenyl]ethanone (CID 118460978) is 1-[3-(fluoromethyl)-2-methylphenyl]ethanone.
What is the SMILES notation for 1-[3-(fluoromethyl)-2-methylphenyl]ethanone?
The canonical SMILES for 1-[3-(fluoromethyl)-2-methylphenyl]ethanone is CC(=O)c1cccc(CF)c1C.
What is the InChIKey of 1-[3-(fluoromethyl)-2-methylphenyl]ethanone?
The InChIKey is YNMQFSSDSVJVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO/c1-7-9(6-11)4-3-5-10(7)8(2)12/h3-5H,6H2,1-2H3.
What are the key properties of 1-[3-(fluoromethyl)-2-methylphenyl]ethanone?
1-[3-(fluoromethyl)-2-methylphenyl]ethanone has a molecular weight of 166.19 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(fluoromethyl)-2-methylphenyl]ethanone is sourced from PubChem (CID 118460978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).