Hexafluoroacetone
Properties
- Molecular formula
- C3F6O
- Molar mass
- 166.02 g/mol
- Exact mass
- 165.9853 Da
- Density
- 1.33 g/mL (at 25 °C)
- Melting point
- −129 °C
- Boiling point
- −27 °C
- logP
- 1.68Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H280 Contains gas under pressure; may explode if heated73.8% of notifiers
- H301+H311 Toxic if swallowed or in contact with skin15% of notifiers
- H301 Toxic if swallowed62% of notifiers
- H310 Fatal in contact with skin25.1% of notifiers
- H311 Toxic in contact with skin36.9% of notifiers
- H314 Causes severe skin burns and eye damage73.8% of notifiers
- H315 Causes skin irritation26.2% of notifiers
- H318 Causes serious eye damage40.1% of notifiers
- H330 Fatal if inhaled98.9% of notifiers
- H360 May damage fertility or the unborn child46% of notifiers
- H360Fd May damage fertility; Suspected of damaging the unborn child15% of notifiers
- H370 Causes damage to organs25.1% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure25.1% of notifiers
Aggregated from 187 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P308+P316, P316, P317, P318, P319, P320, P321, P330, P332+P317, P361+P364, P362+P364, P363, P403+P233, P405, P410+P403, P501
Identifiers
CAS number
684-16-2SMILES
O=C(C(F)(F)F)C(F)(F)FInChIKey
VBZWSGALLODQNC-UHFFFAOYSA-NInChI
InChI=1S/C3F6O/c4-2(5,6)1(10)3(7,8)9Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- 2-Propanone, 1,1,1,3,3,3-hexafluoro-
- 2-Propanone, hexafluoro-
- 1,1,1,3,3,3-Hexafluoro-2-propanone
- GC 7887
- Perfluoroacetone
- Perfluoro-2-propanone
- Hexafluoro-2-propanone
- Bis(trifluoromethyl) ketone
- 1,1,1,3,3,3-Hexafluoroacetone
- NSC 202438
- Hexafluoropropanone
Reactions
Work with Hexafluoroacetone
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
1,1,1-Trichloro-3,3,3-trifluoro-2-propanone758-42-961 % similar
1-Chloro-1,1,3,3,3-pentafluoro-2-propanone79-53-858 % similar
Bromopentafluoroacetone815-23-658 % similar
Trifluoroacetone421-50-150 % similar
Trifluoroacetic acid-d599-00-844 % similar
1,3-Dichlorotetrafluoroacetone127-21-942 % similar
Hexafluoroacetylacetone1522-22-142 % similar
Trifluoroacetyl chloride354-32-542 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds