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

Details

Stereochemistry ACHIRAL
Molecular Formula C4F7N
Molecular Weight 195.0383
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Heptafluorobutyronitrile

SMILES

FC(F)(F)C(F)(F)C(F)(F)C#N

InChI

InChIKey=BOZRBIJGLJJPRF-UHFFFAOYSA-N
InChI=1S/C4F7N/c5-2(6,1-12)3(7,8)4(9,10)11

HIDE SMILES / InChI

Molecular Formula C4F7N
Molecular Weight 195.0383
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 Tue Apr 01 17:37:04 GMT 2025
Edited
by admin
on Tue Apr 01 17:37:04 GMT 2025
Record UNII
UM28MH9A4G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Heptafluorobutyronitrile
Systematic Name English
Butanenitrile, heptafluoro-
Preferred Name English
Heptafluorobutanenitrile
Systematic Name English
Butanenitrile, 2,2,3,3,4,4,4-heptafluoro-
Systematic Name English
2,2,3,3,4,4,4-Heptafluorobutanenitrile
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
206-781-6
Created by admin on Tue Apr 01 17:37:04 GMT 2025 , Edited by admin on Tue Apr 01 17:37:04 GMT 2025
PRIMARY
EPA CompTox
DTXSID9059913
Created by admin on Tue Apr 01 17:37:04 GMT 2025 , Edited by admin on Tue Apr 01 17:37:04 GMT 2025
PRIMARY
PUBCHEM
67808
Created by admin on Tue Apr 01 17:37:04 GMT 2025 , Edited by admin on Tue Apr 01 17:37:04 GMT 2025
PRIMARY
FDA UNII
UM28MH9A4G
Created by admin on Tue Apr 01 17:37:04 GMT 2025 , Edited by admin on Tue Apr 01 17:37:04 GMT 2025
PRIMARY
CAS
375-00-8
Created by admin on Tue Apr 01 17:37:04 GMT 2025 , Edited by admin on Tue Apr 01 17:37:04 GMT 2025
PRIMARY