Molecular properties
- Formula
- C14H9ClF3NO2
- Molar mass
- 315.68 g·mol−1
- Exact mass
- 315.0274 Da
- 9
- PubChem CID
- 64139
Molecule record
(4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
C14H9ClF3NO2
315.68 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Alkyl halide
Alkyne
Amide
Aromatic ring
Aryl halide
Ester
Ether
Secondary amine
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- (-)-Efavirenz
- (4S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one
- (S)-6-Chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one
- (S)-6-Chloro-4-cyclopropylethynyl-4-trifluoromethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one
- (s)-6-chloro-4-cyclopropylethynyl-4-trifluoromethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one
- 154598-52-4
- 6-chloro-4-(2-cyclopropyl-1-ethynyl)-4-trifluoromethyl-(4S)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one
- CHEBI:119486
Show all 24 synonyms
- DMP-266
- DTXCID7026029
- DTXSID9046029
- Efavirenz teva
- Efavirenzum
- JE6H2O27P8
- L-743726
- NSC-742403
- RefChem:590606
- Stocrin
- Sustiva
- Sustiva 600
- TELURA COMPONENT EFAVIRENZ
- Viraday
- efavirenz
- efavirenz, (S)-
Structure identifiers
- Canonical SMILES
- O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1
- Isomeric SMILES
- C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F
- InChI
- 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/s1
- InChIKey
- XPOQHMRABVBWPR-ZDUSSCGKSA-N
- PubChem CID
- 64139
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.