Basic information
- CAS
101221-56-1- Standard SMILES
CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)CCC(=O)O- InChIKey
UJBMOABZHWABLG-UHFFFAOYSA-N- Molecular formula
- C16H20F3NO4
- Average molar mass
- 347.33 g/mol
- Monoisotopic mass
- 347.13444261
Names & identifiers
- Preferred name
- Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, succinate
- IUPAC
- 4-oxo-4-[2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethoxy]butanoic acid
Names & synonyms
BRN 30101122-(alpha-Methyl-m-trifluoromethylphenethylamino)ethanol succinate101221-56-1N-(2-Hydroxyethyl)-alpha-methyl-m-trifluoromethylphenethylamine succinateETHANOL, 2-(alpha-METHYL-m-TRIFLUOROMETHYLPHENETHYLAMINO)-, SUCCINATEPhenethylamine, N-(2-hydroxyethyl)-alpha-methyl-m-trifluoromethyl-, succinateRefChem:340882DTXSID709060054-oxo-4-[2-({1-[3-(trifluoromethyl)phenyl]propan-2-yl}amino)ethoxy]butanoic acid
Database identifiers
- CAS
101221-56-1- PubChem CID
- 58211
- DTXSID
DTXSID70906005
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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