Basic information
- CAS
381-81-7- Standard SMILES
C=CC(=C)C(F)(F)F- InChIKey
SWERAHKQPFRJBK-UHFFFAOYSA-N- Molecular formula
- C5H5F3
- Average molar mass
- 122.09 g/mol
- Monoisotopic mass
- 122.03433465
Names & identifiers
- Preferred name
- 2-(Trifluoromethyl)buta-1,3-diene
- IUPAC
- 2-(trifluoromethyl)buta-1,3-diene
Names & synonyms
2-(Trifluoromethyl)buta-1,3-diene381-81-7DTXSID20597927RefChem:254913DTXCID705486862-Trifluoromethyl-1,3-butadiene2-trifluoromethylbutadieneSCHEMBL1891348SCHEMBL2888843SCHEMBL5671224GYDRCRKUYRYNQK-UHFFFAOYSA-NSWERAHKQPFRJBK-UHFFFAOYSA-N
Database identifiers
- CAS
381-81-7- PubChem CID
- 19086401
- DTXSID
DTXSID20597927- Nikkaji
- J797.920G
Properties
Computed structural properties
- XLogP
- 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
- 109
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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