2,2,3,3,4,4,5,5-Octafluorohexanedinitrile
Properties
- Molecular formula
- C6F8N2
- Molar mass
- 252.07 g/mol
- Exact mass
- 251.9934 Da
- Boiling point
- 63 °C
- logP
- 2.57Crippen estimate
- Polar surface area
- 47.6 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Danger
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled100% of notifiers
- H301 Toxic if swallowed100% of notifiers
- H311 Toxic in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H331 Toxic if inhaled100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
376-53-4SMILES
N#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C#NInChIKey
PZIVXXORSILYOQ-UHFFFAOYSA-NInChI
InChI=1S/C6F8N2/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Hexanedinitrile, 2,2,3,3,4,4,5,5-octafluoro-
- Hexanedinitrile, octafluoro-
- Perfluoroadiponitrile
- Perfluoroadipic acid dinitrile
- Octafluoroadiponitrile
- Octafluoroadipodinitrile
Work with 2,2,3,3,4,4,5,5-Octafluorohexanedinitrile
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2,2,3,3,4,4,4-Heptafluorobutanenitrile375-00-874 % similar
Trifluoroacetonitrile353-85-542 % similar
Octafluorocyclobutane115-25-331 % similar
Perfluorocyclohexane355-68-031 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.