Molecular Identity
Butanoic acid, 4,4-difluoro-3-oxo-, ethyl ester
ethyl 4,4-difluoro-3-oxobutanoate
PubChem CID: 67697
2D Structure
Properties
C6H8F2O3
Molecular Formula
166.12
Molecular Weight
g/mol
166.0442
Exact Mass
Da
1.1
XLogP
Drug-like (Lipinski: < 5)
43.4
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
156
Complexity
SMILES
Canonical SMILES
SMILES: CCOC(=O)CC(=O)C(F)FIsomeric SMILES
SMILES: CCOC(=O)CC(=O)C(F)FSynonyms(20)
352-24-9Ethyl 4,4-difluoroacetoacetateEthyl difluoroacetoacetateButanoic acid, 4,4-difluoro-3-oxo-, ethyl esterEINECS 206-519-0DTXSID2059851RefChem:122107DTXCID1038957ethyl 4,4-difluoro-3-oxobutanoateEthyl 4,4-difluoro-3-oxobutyrateMFCD000392774,4-Difluoroacetoacetic Acid Ethyl Ester4,4-Difluoro-3-oxobutanoic acid ethyl esterFD2057AKOS000305790
Data from PubChem (NCBI)
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Molecular Structure
Butanoic acid, 4,4-difluoro-3-oxo-, ethyl ester
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Drug Network
Trials and conditions connected to Butanoic acid, 4,4-difluoro-3-oxo-, ethyl ester
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