Basic information
- Standard SMILES
CCNC[C@H]1COc2ccc(S(=O)(=O)C(F)(F)F)cc2O1- InChIKey
DWDCNTGCXVPWSD-QMMMGPOBSA-N- Molecular formula
- C12H14F3NO4S
- Average molar mass
- 325.31 g/mol
- Monoisotopic mass
- 325.05956359
Names & identifiers
- Preferred name
- N-{[(2S)-7-(Trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-YL]methyl}ethanamine
- IUPAC
- N-[[(3S)-6-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethanamine
Names & synonyms
N-{[(2S)-7-(TRIFLUOROMETHYLSULFONYL)-2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL]METHYL}ETHANAMINESCHEMBL1882098
Database identifiers
- PubChem CID
- 44469734
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 73 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 448
Related reactions
1 records
Compound notes
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