Basic information
- CAS
692738-24-2- Standard SMILES
OC(CCNCCc1c[nH]c2ccccc12)C(F)(F)F- InChIKey
MIJFTQPRZDVGIW-UHFFFAOYSA-N- Molecular formula
- C14H17F3N2O
- Average molar mass
- 286.29 g/mol
- Monoisotopic mass
- 286.12929766
Names & identifiers
- Preferred name
- 1,1,1-trifluoro-4-{[2-(1H-indol-3-yl)ethyl]amino}-2-butanol
- IUPAC
- 1,1,1-trifluoro-4-[2-(1H-indol-3-yl)ethylamino]butan-2-ol
Names & synonyms
692738-24-21,1,1-trifluoro-4-{[2-(1H-indol-3-yl)ethyl]amino}-2-butanol1,1,1-trifluoro-4-[2-(1H-indol-3-yl)ethylamino]butan-2-ol1,1,1-trifluoro-4-{[2-(1H-indol-3-yl)ethyl]amino}butan-2-olMFCD03102761MLS000764017CHEMBL1351172DTXSID001326578HMS2711N05AKOS005104371SMR0003361699R-1074
Database identifiers
- CAS
692738-24-2- PubChem CID
- 3787239
- DTXSID
DTXSID001326578- ChEMBL
CHEMBL1351172
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 299
Experimental & physicochemical properties
Solubility35.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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