Efavirenz
Properties
- Molecular formula
- C14H9ClF3NO2
- Molar mass
- 315.68 g/mol
- Exact mass
- 315.0274 Da
- Melting point
- 139–141 °C
- pKa
- 10.2
- Water solubility
- practically insoluble
- logP
- 4.09Crippen estimate
- Polar surface area
- 41.8 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
- Stereocentres
- Sin SMILES atom order
Hazards
Danger
- H302 Harmful if swallowed52.3% of notifiers
- H319 Causes serious eye irritation47.7% of notifiers
- H360 May damage fertility or the unborn child48.9% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure43.2% of notifiers
- H400 Very toxic to aquatic life92% of notifiers
- H410 Very toxic to aquatic life with long lasting effects94.3% of notifiers
Aggregated from 88 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P318, P319, P330, P337+P317, P391, P405, P501
Identifiers
CAS number
154598-52-4SMILES
OC1=Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1InChIKey
XPOQHMRABVBWPR-ZDUSSCGKSA-NInChI
InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
15 names · show all
- 2H-3,1-Benzoxazin-2-one, 6-chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-, (4S)-
- 2H-3,1-Benzoxazin-2-one, 6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-, (S)-
- 2H-3,1-Benzoxazin-2-one, 6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-, (4S)-
- (4S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one
- L 743726
- DMP 266
- Sustiva
- Stocrin
- (-)-Efavirenz
- EFV
- (S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one
- (S)-4-(2-Cyclopropylethynyl)-6-chloro-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one
- (S)-4-(Cyclopropylethynyl)-6-chloro-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one
- (S)-Efavirenz
- (4S)-6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
Work with Efavirenz
Similar compounds
Efavirenz aminoalcohol209414-27-747 % similar
5-Chloro-2,3,3-trimethyl-3H-indole25981-83-335 % similar
4-Chloro-2-(trifluoromethyl)phenyl isocyanate16588-69-533 % similar
Brofoxine21440-97-132 % similar
Chlorpropham101-21-331 % similar
4-Chloro-2-(trifluoromethyl)benzoic acid142994-09-031 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.