Efavirenz aminoalcohol
Properties
- Molecular formula
- C13H11ClF3NO
- Molar mass
- 289.68 g/mol
- Exact mass
- 289.0481 Da
- logP
- 3.09Crippen estimate
- Polar surface area
- 46.3 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 1
- Stereocentres
- Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
209414-27-7SMILES
Nc1ccc(Cl)cc1[C@@](O)(C#CC1CC1)C(F)(F)FInChIKey
KEMUGFRERPPUHB-LBPRGKRZSA-NInChI
InChI=1S/C13H11ClF3NO/c14-9-3-4-11(18)10(7-9)12(19,13(15,16)17)6-5-8-1-2-8/h3-4,7-8,19H,1-2,18H2/t12-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- (αS)-2-Amino-5-chloro-α-(2-cyclopropylethynyl)-α-(trifluoromethyl)benzenemethanol
- Benzenemethanol, 2-amino-5-chloro-α-(2-cyclopropylethynyl)-α-(trifluoromethyl)-, (αS)-
- Benzenemethanol, 2-amino-5-chloro-α-(cyclopropylethynyl)-α-(trifluoromethyl)-, (αS)-
- (αS)-2-Amino-5-chloro-α-(cyclopropylethynyl)-α-(trifluoromethyl)benzenemethanol
- (S)-1-(2-Amino-5-chlorophenyl)-1-(trifluoromethyl)-3-cyclopropyl-2-propyn-1-ol
- (S)-2-(2-Amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluoro-3-butyn-2-ol
- SD 573
- (2S)-2-(2-Amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol
Work with Efavirenz aminoalcohol
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds