3-Bromo-1,1,2-trifluorobuta-1,3-diene
Basic information
- CAS
234443-25-5- Standard SMILES
C=C(Br)C(F)=C(F)F- InChIKey
IUVSTEPMNJNMCY-UHFFFAOYSA-N- Molecular formula
- C4H2BrF3
- Average molar mass
- 186.96 g/mol
- Monoisotopic mass
- 185.9292
Names & identifiers
- Preferred name
- 3-Bromo-1,1,2-trifluorobuta-1,3-diene
- IUPAC
- 3-bromo-1,1,2-trifluorobuta-1,3-diene
Names & synonyms
3-bromo-1,1,2-trifluorobuta-1,3-diene3-Bromo-1,1,2-trifluoro-1,3-butadiene234443-25-5SCHEMBL7099719IUVSTEPMNJNMCY-UHFFFAOYSA-NDTXSID801287427SBB090519
Database identifiers
- CAS
234443-25-5- PubChem CID
- 2736406
- DTXSID
DTXSID801287427
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 134
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Compound notes
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