Basic information
- CAS
877080-73-4- Standard SMILES
FC(F)(Br)C#Cc1ccc(C(F)(F)F)cc1- InChIKey
QTXVCFYTTRYMPM-UHFFFAOYSA-N- Molecular formula
- C10H4BrF5
- Average molar mass
- 299.03 g/mol
- Monoisotopic mass
- 297.94165
Names & identifiers
- Preferred name
- Benzene, 1-(3-bromo-3,3-difluoro-1-propynyl)-4-(trifluoromethyl)-
- IUPAC
- 1-(3-bromo-3,3-difluoroprop-1-ynyl)-4-(trifluoromethyl)benzene
Names & synonyms
877080-73-4Benzene, 1-(3-bromo-3,3-difluoro-1-propynyl)-4-(trifluoromethyl)-DTXSID904697481-(3-BROMO-3,3-DIFLUOROPROP-1-YN-1-YL)-4-(TRIFLUOROMETHYL)BENZENE
Database identifiers
- CAS
877080-73-4- PubChem CID
- 11630790
- DTXSID
DTXSID90469748- Nikkaji
- J2.288.751C
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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