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

Details

Stereochemistry ACHIRAL
Molecular Formula C6F14
Molecular Weight 338.0418
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Perfluoro-3-methylpentane

SMILES

FC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F

InChI

InChIKey=GXSFAIDPYIEIEF-UHFFFAOYSA-N
InChI=1S/C6F14/c7-1(4(12,13)14,2(8,9)5(15,16)17)3(10,11)6(18,19)20

HIDE SMILES / InChI

Molecular Formula C6F14
Molecular Weight 338.0418
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 Fri Dec 15 17:58:11 UTC 2023
Edited
by admin
on Fri Dec 15 17:58:11 UTC 2023
Record UNII
3Y3NH8F5CC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Perfluoro-3-methylpentane
Systematic Name English
Pentane, 1,1,1,2,2,3,4,4,5,5,5-undecafluoro-3-(trifluoromethyl)-
Systematic Name English
1,1,1,2,2,3,4,4,5,5,5-Undecafluoro-3-(trifluoromethyl)pentane
Systematic Name English
Pentane, undecafluoro-3-(trifluoromethyl)-
Systematic Name English
Code System Code Type Description
CAS
865-71-4
Created by admin on Fri Dec 15 17:58:11 UTC 2023 , Edited by admin on Fri Dec 15 17:58:11 UTC 2023
PRIMARY
PUBCHEM
70081
Created by admin on Fri Dec 15 17:58:11 UTC 2023 , Edited by admin on Fri Dec 15 17:58:11 UTC 2023
PRIMARY
ECHA (EC/EINECS)
212-746-6
Created by admin on Fri Dec 15 17:58:11 UTC 2023 , Edited by admin on Fri Dec 15 17:58:11 UTC 2023
PRIMARY
EPA CompTox
DTXSID50235603
Created by admin on Fri Dec 15 17:58:11 UTC 2023 , Edited by admin on Fri Dec 15 17:58:11 UTC 2023
PRIMARY
FDA UNII
3Y3NH8F5CC
Created by admin on Fri Dec 15 17:58:11 UTC 2023 , Edited by admin on Fri Dec 15 17:58:11 UTC 2023
PRIMARY