Butyraldehyde, 4-chloro-4,4-difluoro-3-hydroxy-3-(trifluoromethyl)-
Basic information
- CAS
100482-83-5- Standard SMILES
O=CCC(O)(C(F)(F)F)C(F)(F)Cl- InChIKey
BFZCNIWWHOBLLD-UHFFFAOYSA-N- Molecular formula
- C5H4ClF5O2
- Average molar mass
- 226.53 g/mol
- Monoisotopic mass
- 225.9819979
Names & identifiers
- Preferred name
- Butyraldehyde, 4-chloro-4,4-difluoro-3-hydroxy-3-(trifluoromethyl)-
- IUPAC
- 3-[chloro(difluoro)methyl]-4,4,4-trifluoro-3-hydroxybutanal
- English name
- 3-(chloro-difluoro-methyl)-4,4,4-trifluoro-3-hydroxy-butanal
- Molecular formula
- C5H4ClF5O2
- Molecular weight
- 0
Names & synonyms
100482-83-54-Chloro-4,4-difluoro-3-hydroxy-3-(trifluoromethyl)butyraldehydeButyraldehyde, 4-chloro-4,4-difluoro-3-hydroxy-3-(trifluoromethyl)-RefChem:3311373-[chloro(difluoro)methyl]-4,4,4-trifluoro-3-hydroxybutanal3-(CHLORO-DIFLUORO-METHYL)-4,4,4-TRIFLUORO-3-HYDROXY-BUTANALDTXSID609055423-[Chlorodi(fluoro)methyl]-4,4,4-trifluoro-3-hydroxybutanal
Database identifiers
- CAS
100482-83-5- PubChem CID
- 3063335
- DTXSID
DTXSID60905542- Nikkaji
- J65.798K
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 204
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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