1,1-Difluoro-1-isocyanatoethane
Basic information
- CAS
1645-88-1- Standard SMILES
CC(F)(F)N=C=O- InChIKey
VLYGZVXKOGPMRK-UHFFFAOYSA-N- Molecular formula
- C3H3F2NO
- Average molar mass
- 107.06 g/mol
- Monoisotopic mass
- 107.01827004
Names & identifiers
- Preferred name
- 1,1-Difluoro-1-isocyanatoethane
- IUPAC
- 1,1-difluoro-1-isocyanatoethane
- English name
- 1,1-Difluoroethyl isocyanate
- Molecular formula
- C3H3F2NO
- Molecular weight
- 107.06
Names & synonyms
1,1-Difluoro-1-isocyanatoethane1645-88-11,1-Difluoroethyl isocyanateEthane, 1,1-difluoro-1-isocyanato-Isocyanic acid, 1,1-difluoroethyl esterDTXSID703383471,1-Difluoro-1-isocyanatoethane #.alpha.,.alpha.-Difluoroethyl isocyanate
Database identifiers
- CAS
1645-88-1- PubChem CID
- 548612
- DTXSID
DTXSID70338347- Nikkaji
- J108.955B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 106
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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