Basic information
- Standard SMILES
O=C=NC(=O)c1ccc(C(F)(F)F)cc1- InChIKey
GMHGTXBNHPMZRV-UHFFFAOYSA-N- Molecular formula
- C9H4F3NO2
- Average molar mass
- 215.13 g/mol
Names & identifiers
- Preferred name
- 4-Trifluoromethylbenzoylisocyanate
- IUPAC
- 4-(trifluoromethyl)benzoyl isocyanate
Names & synonyms
4-trifluoromethylbenzoylisocyanateSCHEMBL69934914-(trifluoromethyl)benzoyl isocyanateAKOS022305433
Database identifiers
- PubChem CID
- 14913744
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 286
Related reactions
7 records
Compound notes
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