2-Butynenitrile, 4,4,4-trifluoro-
Basic information
- CAS
66051-48-7- Standard SMILES
N#CC#CC(F)(F)F- InChIKey
YZNFAKUUGQFZOK-UHFFFAOYSA-N- Molecular formula
- C4F3N
- Average molar mass
- 119.04 g/mol
- Monoisotopic mass
- 118.99828349
Names & identifiers
- Preferred name
- 2-Butynenitrile, 4,4,4-trifluoro-
- IUPAC
- 4,4,4-trifluorobut-2-ynenitrile
- English name
- 2-Butynenitrile, 4,4,4-trifluoro-
- Molecular formula
- C4F3N
- Molecular weight
- 119.04
Names & synonyms
2-Butynenitrile, 4,4,4-trifluoro-66051-48-7DTXSID70216252RefChem:86066DTXCID70138743YZNFAKUUGQFZOK-UHFFFAOYSA-N4,4,4-trifluorobut-2-ynenitrile4,4,4-Trifluoro-2-butynenitrileSCHEMBL236460511-cyano-3,3,3-trifluoro propyne4,4,4-Trifluoro-2-butynenitrile #
Database identifiers
- CAS
66051-48-7- PubChem CID
- 144152
- DTXSID
DTXSID70216252- Nikkaji
- J127.480E
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Boiling point
- 51.9 · 51.9±45.0 °C(Predicted)
- Density
- 1.358 · 1.358±0.06 g/cm3(Predicted)
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Compound notes
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