Basic information
- CAS
1440968-23-9- Standard SMILES
CC1(C(=O)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC1- InChIKey
ZNLVRZYKPKOZEM-UHFFFAOYSA-N- Molecular formula
- C11H12F9NO3S
- Average molar mass
- 409.27 g/mol
- Monoisotopic mass
- 409.03941788
Names & identifiers
- Preferred name
- 1-Methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)cyclopentane-1-carboxamide
- IUPAC
- 1-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)cyclopentane-1-carboxamide
Names & synonyms
DTXSID908962171-Methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)cyclopentane-1-carboxamide1440968-23-9RefChem:231990DTXCID401325710NS00112151
Database identifiers
- CAS
1440968-23-9- PubChem CID
- 102431399
- DTXSID
DTXSID90896217- Nikkaji
- J3.204.564B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 630
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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