1-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylsulfonyl)urea
Basic information
- CAS
100221-84-9- Standard SMILES
CCCCNC(=O)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
LJLSZPZGBOIJFU-UHFFFAOYSA-N- Molecular formula
- C13H11F17N2O3S
- Average molar mass
- 598.28 g/mol
- Monoisotopic mass
- 598.0218921
Names & identifiers
- Preferred name
- 1-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylsulfonyl)urea
- IUPAC
- 1-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)urea
Names & synonyms
1-butyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylsulfonyl)urea100221-84-9DTXSID10143033N-[(Butylamino)carbonyl]-perfluoro-1-octanesulfonamideN-(Butylcarbamoyl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
Database identifiers
- CAS
100221-84-9- PubChem CID
- 180785
- DTXSID
DTXSID10143033
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 908
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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