2-(Ethyl(2,2,2-trifluoroethoxy)phosphoryl)sulfanylbutane
Basic information
- CAS
91168-96-6- Standard SMILES
CCC(C)SP(=O)(CC)OCC(F)(F)F- InChIKey
IZMIWJOERDCJJO-UHFFFAOYSA-N- Molecular formula
- C8H16F3O2PS
- Average molar mass
- 264.25 g/mol
- Monoisotopic mass
- 264.05607241
Names & identifiers
- Preferred name
- 2-(Ethyl(2,2,2-trifluoroethoxy)phosphoryl)sulfanylbutane
- IUPAC
- 2-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]sulfanylbutane
Names & synonyms
91168-96-62-(Ethyl(2,2,2-trifluoroethoxy)phosphoryl)sulfanylbutaneDTXSID30919914S-(Butan-2-yl) O-(2,2,2-trifluoroethyl) ethylphosphonothioateS-butan-2-yl O-(2,2,2-trifluoroethyl) ethylphosphonothioate
Database identifiers
- CAS
91168-96-6- PubChem CID
- 185090
- DTXSID
DTXSID30919914
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 232
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Compound notes
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