Basic information
- CAS
91168-95-5- Standard SMILES
CCCSP(=O)(CC)OCC(F)(F)F- InChIKey
YIIMSVKLJAFFRC-UHFFFAOYSA-N- Molecular formula
- C7H14F3O2PS
- Average molar mass
- 250.22 g/mol
- Monoisotopic mass
- 250.04042234
Names & identifiers
- Preferred name
- 1-(Ethyl-(2,2,2-trifluoroethoxy)phosphoryl)sulfanylpropane
- IUPAC
- 1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]sulfanylpropane
Names & synonyms
91168-95-51-(ethyl-(2,2,2-trifluoroethoxy)phosphoryl)sulfanylpropaneDTXSID90919915S-propyl O-(2,2,2-trifluoroethyl) ethylphosphonothioate
Database identifiers
- CAS
91168-95-5- PubChem CID
- 185089
- DTXSID
DTXSID90919915
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
- 14
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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