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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H9ClF3NO2
Molecular Weight 315.675
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of EFAVIRENZ PENT-3-ENE-1-YNE, (Z)-

SMILES

C\C=C/C#C[C@@]1(OC(=O)NC2=CC=C(Cl)C=C12)C(F)(F)F

InChI

InChIKey=PUGODPXGSGWWOT-ZRMMWKCHSA-N
InChI=1S/C14H9ClF3NO2/c1-2-3-4-7-13(14(16,17)18)10-8-9(15)5-6-11(10)19-12(20)21-13/h2-3,5-6,8H,1H3,(H,19,20)/b3-2-/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H9ClF3NO2
Molecular Weight 315.675
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 13:40:12 GMT 2025
Edited
by admin
on Wed Apr 02 13:40:12 GMT 2025
Record UNII
BVI6NU6S3C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EFAVIRENZ PENT-3-ENE-1-YNE, (Z)-
Common Name English
EFAVIRENZ IMPURITY, EFAVIRENZ PENT-3-ENE-1-YNE (CIS)-
Preferred Name English
EFAVIRENZ PENT-3-ENE-1-YNE (CIS) [USP IMPURITY]
Common Name English
(S,Z)-6-CHLORO-4-(PENT-3-EN-1-YNYL)-4-(TRIFLUOROMETHYL)-2H-3,1-BENZOXAZIN-2-ONE
Systematic Name English
Code System Code Type Description
PUBCHEM
76966873
Created by admin on Wed Apr 02 13:40:12 GMT 2025 , Edited by admin on Wed Apr 02 13:40:12 GMT 2025
PRIMARY
FDA UNII
BVI6NU6S3C
Created by admin on Wed Apr 02 13:40:12 GMT 2025 , Edited by admin on Wed Apr 02 13:40:12 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY