2,2,3,3,4,4,4-Heptafluorobutanenitrile

C4F7NCAS 375-00-8195.04 g/mol

Open in Covalent MOL file
NFFFFFFF
Alkyl halideNitrile

Properties

Molecular formula
C4F7N
Molar mass
195.04 g/mol
Exact mass
194.9919 Da
Boiling point
1 °C (at 757 Torr)
logP
2.34Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number
375-00-8
SMILES
N#CC(F)(F)C(F)(F)C(F)(F)F
InChIKey
BOZRBIJGLJJPRF-UHFFFAOYSA-N
InChI
InChI=1S/C4F7N/c5-2(6,1-12)3(7,8)4(9,10)11

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Butanenitrile, 2,2,3,3,4,4,4-heptafluoro-
  • Butyronitrile, heptafluoro-
  • Butanenitrile, heptafluoro-
  • Heptafluoropropyl cyanide
  • Heptafluorobutyronitrile
  • Perfluorobutyronitrile
  • Heptafluorobutanenitrile

Work with 2,2,3,3,4,4,4-Heptafluorobutanenitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2,3,3,4,4,5,5-Octafluorohexanedinitrile376-53-474 % similar Perfluorobutane355-25-942 % similar Octafluoropropane76-19-742 % similar Perfluoropentadecane2264-03-140 % similar Perfluorooctane307-34-640 % similar Perfluorododecane307-59-540 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Triacontafluorotetradecane307-62-040 % similar Perfluoroheptane335-57-940 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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