1-Cyclohexyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)urea
Basic information
- CAS
100221-85-0- Standard SMILES
O=C(NC1CCCCC1)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
RXNVRAFVSBXJMZ-UHFFFAOYSA-N- Molecular formula
- C15H13F17N2O3S
- Average molar mass
- 624.3 g/mol
- Monoisotopic mass
- 624.0375422
Names & identifiers
- Preferred name
- 1-Cyclohexyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)urea
- IUPAC
- 1-cyclohexyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)urea
Names & synonyms
1-cyclohexyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)urea100221-85-0DTXSID70143034N-[(Cyclohexylamino)carbonyl]perfluoro-1-octanesulfonamideN-(cyclohexylcarbamoyl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
Database identifiers
- CAS
100221-85-0- PubChem CID
- 180786
- DTXSID
DTXSID70143034
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 982
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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