Basic information
- CAS
40630-22-6- Standard SMILES
CS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
UEVZLRBJDKYWDS-UHFFFAOYSA-N- Molecular formula
- C5H3F9O2S
- Average molar mass
- 298.13 g/mol
- Monoisotopic mass
- 297.97100397
Names & identifiers
- Preferred name
- 1,1,1,2,2,3,3,4,4-Nonafluoro-4-(methanesulfonyl)butane
- IUPAC
- 1,1,1,2,2,3,3,4,4-nonafluoro-4-methylsulfonylbutane
Names & synonyms
40630-22-61,1,1,2,2,3,3,4,4-Nonafluoro-4-(methanesulfonyl)butaneDTXSID60330471RefChem:212664DTXCID70281566NSC263692SCHEMBL777456SCHEMBL29179968UEVZLRBJDKYWDS-UHFFFAOYSA-NNSC-263692DS-007308NS00110864
Show more names
BUTANE,1,1,1,2,2,3,3,4,4-NONAFLUORO-4-(METHYLSULFONYL)-
Database identifiers
- CAS
40630-22-6- PubChem CID
- 429730
- DTXSID
DTXSID60330471
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 387
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
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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