1-[4-(difluoromethyl)-3-ethyl-5-methylphenyl]ethanone

C12H14F2O — CID 131626156

IUPAC1-[4-(difluoromethyl)-3-ethyl-5-methylphenyl]ethanone
SMILESCCc1cc(C(C)=O)cc(C)c1C(F)F
InChIInChI=1S/C12H14F2O/c1-4-9-6-10(8(3)15)5-7(2)11(9)12(13)14/h5-6,12H,4H2,1-3H3
InChIKeyRWGMZUCNAADSMC-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.70
Rot. Bonds3

About 1-[4-(difluoromethyl)-3-ethyl-5-methylphenyl]ethanone

1-[4-(difluoromethyl)-3-ethyl-5-methylphenyl]ethanone (PubChem CID 131626156) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)-3-ethyl-5-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(difluoromethyl)-3-ethyl-5-methylphenyl]ethanone
PubChem CID131626156
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name1-[4-(difluoromethyl)-3-ethyl-5-methylphenyl]ethanone
SMILESCCc1cc(C(C)=O)cc(C)c1C(F)F
InChIInChI=1S/C12H14F2O/c1-4-9-6-10(8(3)15)5-7(2)11(9)12(13)14/h5-6,12H,4H2,1-3H3
InChIKeyRWGMZUCNAADSMC-UHFFFAOYSA-N
XLogP3.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-acetyl-2-(difluoromethyl)-3-ethylbenzonitrile
CID 131259248
1-[4-(difluoromethyl)-3-hydroxy-5-methylphenyl]ethanone
CID 131330772
1-[3-(difluoromethoxy)-5-ethyl-4-methylphenyl]ethanone
CID 171031742
1-(3,4-dimethylphenyl)ethanone;1-(3-ethyl-4-methylphenyl)ethanone
CID 159972126
3-cyano-4-(difluoromethyl)-5-ethylbenzoic acid
CID 131468290
1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone
CID 131525563
1-[2-(difluoromethyl)-5-ethoxy-3-ethylphenyl]ethanone
CID 171032429
1-[3-bromo-4-(difluoromethyl)-5-ethoxyphenyl]ethanone
CID 171001122
1-(3-chloro-5-ethyl-4-fluorophenyl)ethanone
CID 117289595
1-(3-bromo-5-ethyl-4-fluorophenyl)ethanone
CID 117363982
1-[4-(difluoromethoxy)-3-ethylphenyl]ethanone
CID 170996131
1-[4-(1-cyclohexylethyl)-3,5-dimethylphenyl]ethanone
CID 69053490

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)-3-ethyl-5-methylphenyl]ethanone?
The IUPAC name of 1-[4-(difluoromethyl)-3-ethyl-5-methylphenyl]ethanone (CID 131626156) is 1-[4-(difluoromethyl)-3-ethyl-5-methylphenyl]ethanone.
What is the SMILES notation for 1-[4-(difluoromethyl)-3-ethyl-5-methylphenyl]ethanone?
The canonical SMILES for 1-[4-(difluoromethyl)-3-ethyl-5-methylphenyl]ethanone is CCc1cc(C(C)=O)cc(C)c1C(F)F.
What is the InChIKey of 1-[4-(difluoromethyl)-3-ethyl-5-methylphenyl]ethanone?
The InChIKey is RWGMZUCNAADSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c1-4-9-6-10(8(3)15)5-7(2)11(9)12(13)14/h5-6,12H,4H2,1-3H3.
What are the key properties of 1-[4-(difluoromethyl)-3-ethyl-5-methylphenyl]ethanone?
1-[4-(difluoromethyl)-3-ethyl-5-methylphenyl]ethanone has a molecular weight of 212.24 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)-3-ethyl-5-methylphenyl]ethanone is sourced from PubChem (CID 131626156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).