Basic information
- CAS
868692-84-6- Standard SMILES
CC(O)(CO)c1cc2cc(C#N)c(C(F)(F)F)cc2[nH]1- InChIKey
GWWASNRIYXATED-UHFFFAOYSA-N- Molecular formula
- C13H11F3N2O2
- Average molar mass
- 284.23 g/mol
- Monoisotopic mass
- 284.07726225
Names & identifiers
- Preferred name
- 2-(1,2-Dihydroxy-1-methyl-ethyl)-6-trifluoromethyl-1H-indole-5-carbonitrile
- IUPAC
- 2-(1,2-dihydroxypropan-2-yl)-6-(trifluoromethyl)-1H-indole-5-carbonitrile
Names & synonyms
2-(1,2-Dihydroxy-1-methyl-ethyl)-6-trifluoromethyl-1H-indole-5-carbonitrileSCHEMBL977353DTXSID4011420272-(1,2-dihydroxypropan-2-yl)-6-(trifluoromethyl)-1H-indole-5-carbonitrile2-(1,2-dihydroxy-1-methyl-ethyl)-6-trifluoromethyl-1-H -indole-5-carbonitrile2-(1,2-dihydroxy-1-methyl-ethyl)-6-trifluoromethyl-1-H-indole-5-carbonitrile2-(1,2-Dihydroxy-1-methylethyl)-6-(trifluoromethyl)-1H-indole-5-carbonitrile868692-84-6
Database identifiers
- CAS
868692-84-6- PubChem CID
- 66864495
- DTXSID
DTXSID401142027
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 420
Related reactions
15 records
Compound notes
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