3,3,4,4,5,5,5-Heptafluoro-2-pentanone

C₅H₃F₇OCAS 355-17-9212.07 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₅H₃F₇O
Molar mass: 212.07 g/mol
Exact mass: 212.0072 Da
Density: 1.424 g/mL (at 20 °C)
Boiling point: 63.5 °C (at 740 Torr)
logP: 2.41Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H225 Highly Flammable liquid and vapor71.4% of notifiers
H226 Flammable liquid and vapor28.6% of notifiers
H315 Causes skin irritation85.7% of notifiers
H319 Causes serious eye irritation85.7% 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

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

355-17-9

SMILES

CC(=O)C(F)(F)C(F)(F)C(F)(F)F

InChIKey

XJYXROGTQYHLTH-UHFFFAOYSA-N

InChI

InChI=1S/C5H3F7O/c1-2(13)3(6,7)4(8,9)5(10,11)12/h1H3

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Names and synonyms

4 names

2-Pentanone, 3,3,4,4,5,5,5-heptafluoro-
Heptafluoropropyl methyl ketone
HFK 447mcc
3,3,4,4,5,5,5-Heptafluoropentan-2-one

Work with 3,3,4,4,5,5,5-Heptafluoro-2-pentanone

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

Methyl perfluorobutyl ketone678-18-287 % similar Heptafluorobutyric anhydride336-59-450 % similar Methyl 2,2,3,3,4,4,4-heptafluorobutanoate356-24-150 % similar 5,5,6,6,7,7,7-Heptafluoroheptane-2,4-dione356-30-950 % similar Heptafluorobutyryl chloride375-16-650 % similar Perfluorobutanoic acid375-22-450 % similar 6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyl-3,5-octanedione17587-22-347 % similar Ethyl 2,2,3,3,4,4,4-heptafluorobutanoate356-27-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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