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Basic information
- Standard SMILES
O=C=NS(=O)(=O)c1ccccc1C=CC(F)(F)F- InChIKey
MJDIJGRRBCJHRF-UHFFFAOYSA-N- Molecular formula
- C10H6F3NO3S
- Average molar mass
- 277.22 g/mol
Names & identifiers
- Preferred name
- 2-(3,3,3-Trifluoro-1-propen-1-yl)phenylsulfonyl isocyanate
- IUPAC
- N-(oxomethylidene)-2-(3,3,3-trifluoroprop-1-enyl)benzenesulfonamide
Names & synonyms
2-(3,3,3-trifluoro-1-propen-1-yl)phenylsulfonyl isocyanateSCHEMBL97448272-(3,3,3trifluoro-1propen-1yl)phenylsulfonyl isocyanate2-(3,3,3-trifluoro-1propen-1-yl)phenylsulfonyl isocyanate
Database identifiers
- PubChem CID
- 54075106
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 458
Related reactions
8 records
Compound notes
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