Completing data — usually done within a minute
Basic information
- CAS
58665-72-8- Standard SMILES
O=C=NC1CCCC(C(F)(F)F)C1- InChIKey
KLYUFBVXJQKYMC-UHFFFAOYSA-N- Molecular formula
- C8H10F3NO
- Average molar mass
- 193.17 g/mol
- Monoisotopic mass
- 193.0714486
Names & identifiers
- Preferred name
- 1-Isocyanato-3-(trifluoromethyl)cyclohexane
- IUPAC
- 1-isocyanato-3-(trifluoromethyl)cyclohexane
Names & synonyms
58665-72-81-Isocyanato-3-(trifluoromethyl)cyclohexaneCyclohexane, 1-isocyanato-3-(trifluoromethyl)-MFCD24229575SCHEMBL10516153DTXSID006121223-trifluoromethylcyclohexyl isocyanate
Database identifiers
- CAS
58665-72-8- PubChem CID
- 21297423
- DTXSID
DTXSID00612122
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
Related reactions
2 records
Compound notes
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