Basic information
- CAS
819865-12-8- Standard SMILES
CC(C)(Cc1ccccc1F)NCCCS(=O)(=O)O- InChIKey
FBNZDDFUPAAORY-UHFFFAOYSA-N- Molecular formula
- C13H20FNO3S
- Average molar mass
- 289.37 g/mol
- Monoisotopic mass
- 289.11479284
Names & identifiers
- Preferred name
- 1-Propanesulfonic acid, 3-[[2-(2-fluorophenyl)-1,1-dimethylethyl]amino]-
- IUPAC
- 3-[[1-(2-fluorophenyl)-2-methylpropan-2-yl]amino]propane-1-sulfonic acid
Names & synonyms
819865-12-81-Propanesulfonic acid, 3-[[2-(2-fluorophenyl)-1,1-dimethylethyl]amino]-SCHEMBL10278447DTXSID704705343-{[1-(2-FLUOROPHENYL)-2-METHYLPROPAN-2-YL]AMINO}PROPANE-1-SULFONIC ACID
Database identifiers
- CAS
819865-12-8- PubChem CID
- 11680843
- DTXSID
DTXSID70470534
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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