Basic information
- CAS
63867-09-4- Standard SMILES
COC(=O)C(F)(Br)C(F)(F)C(F)(F)F- InChIKey
WICGPZDMJXOYON-UHFFFAOYSA-N- Molecular formula
- C5H3BrF6O2
- Average molar mass
- 288.97 g/mol
- Monoisotopic mass
- 287.92206
Names & identifiers
- Preferred name
- Butyric acid, 2-bromo-2,3,3,4,4,4-hexafluoro-, methyl ester
- IUPAC
- methyl 2-bromo-2,3,3,4,4,4-hexafluorobutanoate
- English name
- Methyl 2,3,3,4,4,4-hexafluoro-2-bromobutyrate
- Molecular formula
- C5H3BrF6O2
- Molecular weight
- 288.97
Names & synonyms
63867-09-4BUTYRIC ACID, 2-BROMO-2,3,3,4,4,4-HEXAFLUORO-, METHYL ESTERRefChem:1080461methyl 2-bromo-2,3,3,4,4,4-hexafluorobutanoateMethyl hexafluoro-2-bromobutyrateMethyl 2,3,3,4,4,4-hexafluoro-2-bromobutyrateDTXSID70980502methyl alpha-bromohexafluorobutyrateDB-297814Butanoic acid, 2-bromo-2,3,3,4,4,4-hexafluoro-, methyl ester
Database identifiers
- CAS
63867-09-4- PubChem CID
- 44840
- DTXSID
DTXSID70980502- Nikkaji
- J77.573H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Boiling point
- 173 °C · 173°C (rough estimate)
- Density
- 1.837 · 1.8370 (rough estimate)
- refractive index
- 1.48 · 1.4800 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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