Basic information
- CAS
819-01-2- Standard SMILES
FC(F)(F)C#CBr- InChIKey
AJZDHGUIYOQGDJ-UHFFFAOYSA-N- Molecular formula
- C3BrF3
- Average molar mass
- 172.93 g/mol
- Monoisotopic mass
- 171.91355
Names & identifiers
- Preferred name
- 1-Propyne, 1-bromo-3,3,3-trifluoro-
- IUPAC
- 1-bromo-3,3,3-trifluoroprop-1-yne
Names & synonyms
1-Propyne, 1-bromo-3,3,3-trifluoro-819-01-21-bromo-3,3,3-trifluoroprop-1-yneSCHEMBL8952111DTXSID10231449AJZDHGUIYOQGDJ-UHFFFAOYSA-N
Database identifiers
- CAS
819-01-2- PubChem CID
- 136641
- DTXSID
DTXSID10231449
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 111
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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