Pentan-3-yl trifluoromethanesulfonate
Basic information
- CAS
191211-62-8- Standard SMILES
CCC(CC)OS(=O)(=O)C(F)(F)F- InChIKey
DOHFYHRENNMQST-UHFFFAOYSA-N- Molecular formula
- C6H11F3O3S
- Average molar mass
- 220.21 g/mol
- Monoisotopic mass
- 220.03809987
Names & identifiers
- Preferred name
- Pentan-3-yl trifluoromethanesulfonate
- IUPAC
- pentan-3-yl trifluoromethanesulfonate
- English name
- Methanesulfonic acid, trifluoro-, 1-ethylpropyl ester
- Molecular formula
- C6H11F3O3S
- Molecular weight
- 220.21
Names & synonyms
Pentan-3-yl trifluoromethanesulfonate191211-62-8Methanesulfonic acid, 1,1,1-trifluoro-, 1-ethylpropyl esterSCHEMBL14930256DTXSID50731291DOHFYHRENNMQST-UHFFFAOYSA-NMethanesulfonic acid, trifluoro-, 1-ethylpropyl ester
Database identifiers
- CAS
191211-62-8- PubChem CID
- 59219366
- DTXSID
DTXSID50731291
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Boiling point
- 180.6 · 180.6±35.0 °C(Predicted)
- Density
- 1.282 · 1.282±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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