1-[4-(difluoromethyl)-3-fluoro-2-methoxyphenyl]ethanone

C10H9F3O2 — CID 131332582

IUPAC1-[4-(difluoromethyl)-3-fluoro-2-methoxyphenyl]ethanone
SMILESCOc1c(C(C)=O)ccc(C(F)F)c1F
InChIInChI=1S/C10H9F3O2/c1-5(14)6-3-4-7(10(12)13)8(11)9(6)15-2/h3-4,10H,1-2H3
InChIKeyAWVQAIIVVUEIKC-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.97
Rot. Bonds3

About 1-[4-(difluoromethyl)-3-fluoro-2-methoxyphenyl]ethanone

1-[4-(difluoromethyl)-3-fluoro-2-methoxyphenyl]ethanone (PubChem CID 131332582) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)-3-fluoro-2-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(difluoromethyl)-3-fluoro-2-methoxyphenyl]ethanone
PubChem CID131332582
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name1-[4-(difluoromethyl)-3-fluoro-2-methoxyphenyl]ethanone
SMILESCOc1c(C(C)=O)ccc(C(F)F)c1F
InChIInChI=1S/C10H9F3O2/c1-5(14)6-3-4-7(10(12)13)8(11)9(6)15-2/h3-4,10H,1-2H3
InChIKeyAWVQAIIVVUEIKC-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-[5-bromo-3-(difluoromethyl)-2-methoxyphenyl]ethanone
CID 131568665
1-[2,3-dibromo-4-(difluoromethyl)phenyl]ethanone
CID 171010271
1-[2-(difluoromethoxy)-3-fluoro-4-methylphenyl]ethanone
CID 131616132
1-(3-tert-butyl-4-fluoro-2-methoxyphenyl)ethanone
CID 176614285
4-(difluoromethyl)-2,3-difluorobenzamide
CID 119005001
1-(4-chloro-2,3-dimethoxyphenyl)ethanone
CID 84680566
1-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanone
CID 84714598
1-(2-bromo-4-fluoro-3-methoxyphenyl)ethanone
CID 171005543
1-(2,4-difluoro-3-methoxyphenyl)-2,2-difluoroethanone
CID 164895051
1-[2-amino-3-bromo-4-(difluoromethyl)phenyl]ethanone
CID 171026864
1-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanone
CID 117318371
S-ethyl 4-(difluoromethyl)-2-methoxy-3-methylbenzenecarbothioate
CID 146371787

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)-3-fluoro-2-methoxyphenyl]ethanone?
The IUPAC name of 1-[4-(difluoromethyl)-3-fluoro-2-methoxyphenyl]ethanone (CID 131332582) is 1-[4-(difluoromethyl)-3-fluoro-2-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[4-(difluoromethyl)-3-fluoro-2-methoxyphenyl]ethanone?
The canonical SMILES for 1-[4-(difluoromethyl)-3-fluoro-2-methoxyphenyl]ethanone is COc1c(C(C)=O)ccc(C(F)F)c1F.
What is the InChIKey of 1-[4-(difluoromethyl)-3-fluoro-2-methoxyphenyl]ethanone?
The InChIKey is AWVQAIIVVUEIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c1-5(14)6-3-4-7(10(12)13)8(11)9(6)15-2/h3-4,10H,1-2H3.
What are the key properties of 1-[4-(difluoromethyl)-3-fluoro-2-methoxyphenyl]ethanone?
1-[4-(difluoromethyl)-3-fluoro-2-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-[4-(difluoromethyl)-3-fluoro-2-methoxyphenyl]ethanone is sourced from PubChem (CID 131332582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).