2-Pentafluoroethylsulfanylethylamine
Basic information
- CAS
1208078-70-9- Standard SMILES
NCCSC(F)(F)C(F)(F)F- InChIKey
YDOQJZLBFHHXSW-UHFFFAOYSA-N- Molecular formula
- C4H6F5NS
- Average molar mass
- 195.16 g/mol
- Monoisotopic mass
- 195.01411118
Names & identifiers
- Preferred name
- 2-Pentafluoroethylsulfanylethylamine
- IUPAC
- 2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethanamine
Names & synonyms
2-Pentafluoroethylsulfanylethylamine1208078-70-9C4H6F5NS2-[(1,1,2,2,2-Pentafluoroethyl)sulfanyl]ethan-1-amineDTXSID401023150MFCD23381756AKOS0173444992-[(Pentafluoroethyl)sulfanyl]ethan-1-amine2-(1,1,2,2,2-pentafluoroethylsulfanyl)ethanamine
Database identifiers
- CAS
1208078-70-9- PubChem CID
- 75406366
- DTXSID
DTXSID401023150
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 122
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Compound notes
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