Basic information
- Standard SMILES
O=C=NCCCCCCNC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F- InChIKey
BCIZUQDGTBOLNM-UHFFFAOYSA-N- Molecular formula
- C13H16F8N2O3
- Average molar mass
- 400.26 g/mol
Names & identifiers
- Preferred name
- 2,2,3,3,4,4,5,5-Octafluoropentyl (6-isocyanatohexyl)carbamate
- IUPAC
- 2,2,3,3,4,4,5,5-octafluoropentyl N-(6-isocyanatohexyl)carbamate
Names & synonyms
2,2,3,3,4,4,5,5-octafluoropentyl (6-isocyanatohexyl)carbamateSCHEMBL28818749
Database identifiers
- PubChem CID
- 86670533
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 13
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 496
Related reactions
1 records
Compound notes
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