2-Chloroethyl 4-fluoro-2-hydroxybutanoate
Basic information
- CAS
63905-00-0- Standard SMILES
O=C(OCCCl)C(O)CCF- InChIKey
PYNDSUPYXXIHRB-UHFFFAOYSA-N- Molecular formula
- C6H10ClFO3
- Average molar mass
- 184.59 g/mol
- Monoisotopic mass
- 184.03025
Names & identifiers
- Preferred name
- 2-Chloroethyl 4-fluoro-2-hydroxybutanoate
- IUPAC
- 2-chloroethyl 4-fluoro-2-hydroxybutanoate
- English name
- 4-Fluoro-2-hydroxybutyric acid 2-chloroethyl ester
- Molecular formula
- C6H10ClFO3
- Molecular weight
- 184.59
Names & synonyms
63905-00-02-chloroethyl 4-fluoro-2-hydroxybutanoateDTXSID80980851RefChem:1062853DTXCID601408124TL 14922-Chloroethyl gamma-fluoro-beta-hydroxybutyratebeta-Chloroethyl gamma-fluoro-beta-hydroxybutyrateBUTYRIC ACID, 4-FLUORO-2-HYDROXY-, 2-CHLOROETHYL ESTERButyric acid, gamma-fluoro-beta-hydroxy-, 2-chloroethyl ester4-Fluoro-2-hydroxybutyric acid 2-chloroethyl esterDB-305929
Show more names
TL-1492Butanoic acid, 4-fluoro-2-hydroxy-, 2-chloroethyl ester
Database identifiers
- CAS
63905-00-0- PubChem CID
- 45065
- DTXSID
DTXSID80980851- Nikkaji
- J67.376E
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 120
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Compound notes
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