Basic information
- CAS
91168-98-8- Standard SMILES
CCC(C)SP(C)(=O)OCC(F)(F)F- InChIKey
VAMPBTRHAOMYQF-UHFFFAOYSA-N- Molecular formula
- C7H14F3O2PS
- Average molar mass
- 250.22 g/mol
- Monoisotopic mass
- 250.04042234
Names & identifiers
- Preferred name
- 2-(Methyl(2,2,2-trifluoroethoxy)phosphoryl)sulfanylbutane
- IUPAC
- 2-[methyl(2,2,2-trifluoroethoxy)phosphoryl]sulfanylbutane
Names & synonyms
91168-98-82-(Methyl(2,2,2-trifluoroethoxy)phosphoryl)sulfanylbutaneDTXSID70919913S-Butan-2-yl O-(2,2,2-trifluoroethyl) methylphosphonothioateS-(Butan-2-yl) O-(2,2,2-trifluoroethyl) methylphosphonothioate
Database identifiers
- CAS
91168-98-8- PubChem CID
- 185091
- DTXSID
DTXSID70919913
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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