Basic information
- CAS
98640-41-6- Standard SMILES
N[C@@H](CSC(F)(F)C(F)(F)C(F)F)C(=O)O- InChIKey
JUZNRZOPIWAZGE-REOHCLBHSA-N- Molecular formula
- C6H7F6NO2S
- Average molar mass
- 271.18 g/mol
- Monoisotopic mass
- 271.01016861
Names & identifiers
- Preferred name
- S-(1,1,2,2,3,3-Hexafluoropropyl)-L-cysteine
- IUPAC
- (2R)-2-amino-3-(1,1,2,2,3,3-hexafluoropropylsulfanyl)propanoic acid
- English name
- S-(1,1,2,2,3,3-Hexafluoropropyl)-L-cysteine
- Molecular formula
- C6H7F6NO2S
- Molecular weight
- 271.18
Names & synonyms
S-(1,1,2,2,3,3-Hexafluoropropyl)-L-cysteine98640-41-6CCRIS 5244X111T8QB9BUNII-X111T8QB9BDTXSID30243746L-Cysteine, S-(1,1,2,2,3,3-hexafluoropropyl)-RefChem:180468DTXCID60166237(R)-2-Amino-3-((1,1,2,2,3,3-hexafluoropropyl)thio)propanoic acid(2R)-2-amino-3-(1,1,2,2,3,3-hexafluoropropylsulfanyl)propanoic acid
Database identifiers
- CAS
98640-41-6- PubChem CID
- 152178
- DTXSID
DTXSID30243746- UNII
- X111T8QB9B
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Boiling point
- 267.1 · 267.1±40.0 °C(Predicted)
- Density
- 1.564 · 1.564±0.06 g/cm3(Predicted)
- pka
- 1.94 · 1.94±0.10(Predicted)
- FDA UNII
- 111 T8QB9B · X111T8QB9B
Chemistry & industry
Suppliers1 total
江苏洪珉药业有限公司18221292452 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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