1-[2-(difluoromethyl)-4-fluoro-6-methoxyphenyl]ethanone

C10H9F3O2 — CID 131332595

IUPAC1-[2-(difluoromethyl)-4-fluoro-6-methoxyphenyl]ethanone
SMILESCOc1cc(F)cc(C(F)F)c1C(C)=O
InChIInChI=1S/C10H9F3O2/c1-5(14)9-7(10(12)13)3-6(11)4-8(9)15-2/h3-4,10H,1-2H3
InChIKeyZFSJNKLIKQHXGR-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.97
Rot. Bonds3

About 1-[2-(difluoromethyl)-4-fluoro-6-methoxyphenyl]ethanone

1-[2-(difluoromethyl)-4-fluoro-6-methoxyphenyl]ethanone (PubChem CID 131332595) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-4-fluoro-6-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-4-fluoro-6-methoxyphenyl]ethanone
PubChem CID131332595
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name1-[2-(difluoromethyl)-4-fluoro-6-methoxyphenyl]ethanone
SMILESCOc1cc(F)cc(C(F)F)c1C(C)=O
InChIInChI=1S/C10H9F3O2/c1-5(14)9-7(10(12)13)3-6(11)4-8(9)15-2/h3-4,10H,1-2H3
InChIKeyZFSJNKLIKQHXGR-UHFFFAOYSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2,6-dimethoxyphenyl)ethanone
CID 117287701
1-[2-bromo-6-(difluoromethyl)-4-fluorophenyl]ethanone
CID 131295838
1-(2,5-difluoro-3-methoxyphenyl)ethanone
CID 84660399
1-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanone
CID 84769280
2-(5-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 117305116
4-cyano-2-(difluoromethyl)-6-methoxybenzoic acid
CID 118827832
1-(4-amino-2-fluoro-6-methoxyphenyl)ethanone
CID 171018286
4-fluoro-2-methoxy-6-methylbenzamide
CID 69408155
1-(3-bromo-2-fluoro-4,6-dimethoxyphenyl)ethanone
CID 84811157
1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone
CID 84803559
1-[2-(difluoromethyl)-4-hydroxy-6-methylphenyl]ethanone
CID 131329925
1-[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]-2-(methylamino)ethanone
CID 117369600

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-4-fluoro-6-methoxyphenyl]ethanone?
The IUPAC name of 1-[2-(difluoromethyl)-4-fluoro-6-methoxyphenyl]ethanone (CID 131332595) is 1-[2-(difluoromethyl)-4-fluoro-6-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[2-(difluoromethyl)-4-fluoro-6-methoxyphenyl]ethanone?
The canonical SMILES for 1-[2-(difluoromethyl)-4-fluoro-6-methoxyphenyl]ethanone is COc1cc(F)cc(C(F)F)c1C(C)=O.
What is the InChIKey of 1-[2-(difluoromethyl)-4-fluoro-6-methoxyphenyl]ethanone?
The InChIKey is ZFSJNKLIKQHXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c1-5(14)9-7(10(12)13)3-6(11)4-8(9)15-2/h3-4,10H,1-2H3.
What are the key properties of 1-[2-(difluoromethyl)-4-fluoro-6-methoxyphenyl]ethanone?
1-[2-(difluoromethyl)-4-fluoro-6-methoxyphenyl]ethanone has a molecular weight of 218.17 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-4-fluoro-6-methoxyphenyl]ethanone is sourced from PubChem (CID 131332595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).