U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C18H17F7O3
Molecular Weight 414.3146
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of HEPTAFLUTHRIN, CIS-

SMILES

COCC1=C(F)C(F)=C(COC(=O)[C@@H]2[C@H](\C=C/C(F)(F)F)C2(C)C)C(F)=C1F

InChI

InChIKey=BKACAEJQMLLGAV-XXJOZFEBSA-N
InChI=1S/C18H17F7O3/c1-17(2)10(4-5-18(23,24)25)11(17)16(26)28-7-9-14(21)12(19)8(6-27-3)13(20)15(9)22/h4-5,10-11H,6-7H2,1-3H3/b5-4-/t10-,11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H17F7O3
Molecular Weight 414.3146
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:24:23 GMT 2023
Edited
by admin
on Sat Dec 16 18:24:23 GMT 2023
Record UNII
XX6XZ2KBF8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEPTAFLUTHRIN, CIS-
Common Name English
CYCLOPROPANECARBOXYLIC ACID, 2,2-DIMETHYL-3-((1Z)-3,3,3-TRIFLUORO-1-PROPEN-1-YL)-, (2,3,5,6-TETRAFLUORO-4-(METHOXYMETHYL)PHENYL)METHYL ESTER, (1R,3S)-REL-
Systematic Name English
REL-(2,3,5,6-TETRAFLUORO-4-(METHOXYMETHYL)PHENYL)METHYL (1R,3S)-2,2-DIMETHYL-3-((1Z)-3,3,3-TRIFLUORO-1-PROPEN-1-YL)CYCLOPROPANECARBOXYLATE
Systematic Name English
Code System Code Type Description
CAS
1265899-06-6
Created by admin on Sat Dec 16 18:24:24 GMT 2023 , Edited by admin on Sat Dec 16 18:24:24 GMT 2023
PRIMARY
FDA UNII
XX6XZ2KBF8
Created by admin on Sat Dec 16 18:24:24 GMT 2023 , Edited by admin on Sat Dec 16 18:24:24 GMT 2023
PRIMARY
PUBCHEM
46218598
Created by admin on Sat Dec 16 18:24:24 GMT 2023 , Edited by admin on Sat Dec 16 18:24:24 GMT 2023
PRIMARY