Octanoic acid, 8-fluoro-3-oxo-, ethyl ester

HCID 9530

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Basic information

CAS: 333-56-2
Standard SMILES: CCOC(=O)CC(=O)CCCCCF
InChIKey: LYZYHBFNPRVNND-UHFFFAOYSA-N
Molecular formula: C10H17FO3
Average molar mass: 204.24 g/mol
Monoisotopic mass: 204.11617256

Names & identifiers

Preferred name: Octanoic acid, 8-fluoro-3-oxo-, ethyl ester
IUPAC: ethyl 8-fluoro-3-oxooctanoate
English name: 8-Fluoro-3-oxooctanoic acid ethyl ester
Molecular weight: 0

Names & synonyms

Ethyl 8-fluoro-3-oxooctanoate333-56-2BRN 1775525Ethyl omega-fluoro-3-oxooctanoate8-Fluoro-3-oxo-octanoic acid ethyl esterOCTANOIC ACID, 8-FLUORO-3-OXO-, ETHYL ESTERDTXSID301869224-03-00-01611 (Beilstein Handbook Reference)RefChem:366885DTXCID70109413SCHEMBL31040388-Fluoro-3-oxooctanoic acid ethyl ester

Database identifiers

CAS: 333-56-2
PubChem CID: 9530
DTXSID: DTXSID30186922
Nikkaji: J42.521D

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 9
Heavy atoms: 14
Formal charge: 0
Complexity: 180

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