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Basic information
- Standard SMILES
CS(=O)(=O)OCCN(Cc1ccccc1)CC(CF)OS(C)(=O)=O- InChIKey
BNVBBEKTUXKLMS-UHFFFAOYSA-N- Molecular formula
- C14H22FNO6S2
- Average molar mass
- 383.5 g/mol
- Monoisotopic mass
- 383.08725793
Names & identifiers
- Preferred name
- N-(3-fluoro-2-methylsulfonyloxypropyl)-N-(2-methylsulfonyloxyethyl)benzylamine
- IUPAC
- 2-[benzyl-(3-fluoro-2-methylsulfonyloxypropyl)amino]ethyl methanesulfonate
Names & synonyms
SCHEMBL7817155BNVBBEKTUXKLMS-UHFFFAOYSA-NN-(3-fluoro-2-methylsulfonyloxypropyl)-N-(2-methylsulfonyloxyethyl)benzylamine
Database identifiers
- PubChem CID
- 18985366
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 549
Related reactions
9 records
Compound notes
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