Bis(perfluorisopropyl) ketone
Properties
- Molecular formula
- C7F14O
- Molar mass
- 366.05 g/mol
- Exact mass
- 365.9726 Da
- Boiling point
- 71–72 °C
- logP
- 4.22Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed71.4% of notifiers
- H315 Causes skin irritation85.7% of notifiers
- H319 Causes serious eye irritation85.7% of notifiers
- H332 Harmful if inhaled71.4% of notifiers
- H335 May cause respiratory irritation85.7% of notifiers
Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
813-44-5SMILES
O=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)FInChIKey
GRVMOMUDALILLH-UHFFFAOYSA-NInChI
InChI=1S/C7F14O/c8-2(4(10,11)12,5(13,14)15)1(22)3(9,6(16,17)18)7(19,20)21Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 1,1,1,2,4,5,5,5-Octafluoro-2,4-bis(trifluoromethyl)-3-pentanone
- 3-Pentanone, 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)-
- Perfluoroisopropyl ketone
- Perfluorodiisopropyl ketone
- Perfluorobis(isopropyl) ketone
- Tetradecafluoro-2,4-dimethylpentan-3-one
Work with Bis(perfluorisopropyl) ketone
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
Perfluoro(2-methyl-3-pentanone)756-13-870 % similar
Methyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate680-05-744 % similar
Hexafluoroacetone684-16-242 % similar
Perfluoro-4-methyl-2-pentene2070-70-438 % similar
1,3-Dichlorotetrafluoroacetone127-21-936 % similar
Hexafluoroacetone trihydrate34202-69-236 % similar
1,1,3,3-Tetrachloro-1,3-difluoro-2-propanone79-51-636 % similar
1,1,1-Trichloro-3,3,3-trifluoro-2-propanone758-42-933 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds