Basic information
- Standard SMILES
N#CCCC#Cc1ccccc1C(F)(F)F- InChIKey
HCGOOYAWYTZZIT-UHFFFAOYSA-N- Molecular formula
- C12H8F3N
- Average molar mass
- 223.19 g/mol
Names & identifiers
- Preferred name
- 5-(2-Trifluoromethylphenyl)-4-pentynenitrile
- IUPAC
- 5-[2-(trifluoromethyl)phenyl]pent-4-ynenitrile
Names & synonyms
5-(2-trifluoromethylphenyl)-4-pentynenitrileSCHEMBL8902611
Database identifiers
- PubChem CID
- 19955538
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 336
Related reactions
5 records
Compound notes
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