2-[(2-Aminoethyl)sulfanyl]-1,1,1,3,3,3-hexafluoro-2-propanol
Basic information
- CAS
21918-92-3- Standard SMILES
NCCSC(O)(C(F)(F)F)C(F)(F)F- InChIKey
MGPCOZJFYBZPPQ-UHFFFAOYSA-N- Molecular formula
- C5H7F6NOS
- Average molar mass
- 243.17 g/mol
- Monoisotopic mass
- 243.01525399
Names & identifiers
- Preferred name
- 2-[(2-Aminoethyl)sulfanyl]-1,1,1,3,3,3-hexafluoro-2-propanol
- IUPAC
- 2-(2-aminoethylsulfanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
Names & synonyms
21918-92-32-[(2-Aminoethyl)sulfanyl]-1,1,1,3,3,3-hexafluoro-2-propanolDTXSID90276878MGPCOZJFYBZPPQ-UHFFFAOYSA-NNSC139051NSC-139051Bis[trifluoromethyl]hydroxy-2-(aminoethylthio)methane zwitterion2-[(2-Aminoethyl)sulfanyl]-1,1,1,3,3,3-hexafluoro-2-propanol #2-[(2-aminoethyl)sulfanyl]-1,1,1,3,3,3-hexafluoropropan-2-ol2-Propanol, 2-[(2-aminoethyl)thio]-1,1,1,3,3,3-hexafluoro-
Database identifiers
- CAS
21918-92-3- PubChem CID
- 210922
- DTXSID
DTXSID90276878
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 176
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Related reactions
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Compound notes
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