3-Iodopropyl-1-trifluoromethanesulfonate
Basic information
- CAS
106114-40-3- Standard SMILES
O=S(=O)(OCCCI)C(F)(F)F- InChIKey
FMSOAEQMFVDTSC-UHFFFAOYSA-N- Molecular formula
- C4H6F3IO3S
- Average molar mass
- 318.06 g/mol
- Monoisotopic mass
- 317.90345
Overview
reagent for radiolabeling of amines
Names & identifiers
- Preferred name
- 3-Iodopropyl-1-trifluoromethanesulfonate
- IUPAC
- 3-iodopropyl trifluoromethanesulfonate
- English name
- 3-iodopropyl-1-trifluoromethanesulfonate
- Molecular formula
- C4H6F3IO3S
- Molecular weight
- 318.05
Names & synonyms
3-Iodopropyl-1-trifluoromethanesulfonate3-Iodopropyl-1-triflate106114-40-3DTXSID20147522RefChem:94467DTXCID60700133-iodopropyl trifluoromethanesulfonateiodopropyl triflateSCHEMBL1651582FMSOAEQMFVDTSC-UHFFFAOYSA-NMethanesulfonic acid, 1,1,1-trifluoro-, 3-iodopropyl ester
Database identifiers
- CAS
106114-40-3- PubChem CID
- 129197
- DTXSID
DTXSID20147522
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Boiling point
- 236.3 · 236.3±40.0 °C(Predicted)
- Density
- 2.023 · 2.023±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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