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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H35F3O
Molecular Weight 336.4758
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1,1-TRIFLUORONONADECAN-2-ONE

SMILES

CCCCCCCCCCCCCCCCCC(=O)C(F)(F)F

InChI

InChIKey=SYQIFPOSGNRRCM-UHFFFAOYSA-N
InChI=1S/C19H35F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(23)19(20,21)22/h2-17H2,1H3

HIDE SMILES / InChI

Molecular Formula C19H35F3O
Molecular Weight 336.4758
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:33:51 GMT 2023
Edited
by admin
on Sat Dec 16 16:33:51 GMT 2023
Record UNII
O6L38KHV3P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,1,1-TRIFLUORONONADECAN-2-ONE
Systematic Name English
HEPTADECYL TRIFLUOROMETHYL KETONE
Common Name English
1,1,1-TRIS(FLUORANYL)NONADECAN-2-ONE
Systematic Name English
2-NONADECANONE, 1,1,1-TRIFLUORO-
Common Name English
1,1,1-TRIFLUORO-2-NONADECANONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90230910
Created by admin on Sat Dec 16 16:33:51 GMT 2023 , Edited by admin on Sat Dec 16 16:33:51 GMT 2023
PRIMARY
CAS
81124-01-8
Created by admin on Sat Dec 16 16:33:51 GMT 2023 , Edited by admin on Sat Dec 16 16:33:51 GMT 2023
PRIMARY
PUBCHEM
157730
Created by admin on Sat Dec 16 16:33:51 GMT 2023 , Edited by admin on Sat Dec 16 16:33:51 GMT 2023
PRIMARY
FDA UNII
O6L38KHV3P
Created by admin on Sat Dec 16 16:33:51 GMT 2023 , Edited by admin on Sat Dec 16 16:33:51 GMT 2023
PRIMARY