6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyl-3,5-octanedione

C₁₀H₁₁F₇O₂CAS 17587-22-3296.18 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₁₀H₁₁F₇O₂
Molar mass: 296.18 g/mol
Exact mass: 296.0647 Da
Melting point: 38 °C
Boiling point: 46–47 °C
logP: 3.39Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation16.3% of notifiers
H319 Causes serious eye irritation16.3% of notifiers
H335 May cause respiratory irritation16.3% of notifiers

Aggregated from 49 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

17587-22-3

SMILES

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

InChIKey

SQNZLBOJCWQLGQ-UHFFFAOYSA-N

InChI

InChI=1S/C10H11F7O2/c1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17/h4H2,1-3H3

Weigh it out

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

Names and synonyms

6 names

3,5-Octanedione, 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-
1,1,1,2,2,3,3-Heptafluoro-7,7-dimethyl-4,6-octanedione
Fod
2,2-Dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedione
(Heptafluorobutanoyl)pivaloylmethane
2,2-Dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-heptanedione

Work with 6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyl-3,5-octanedione

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

1,1,1,5,5,6,6,7,7,7-Decafluoro-2,4-heptanedione20583-66-870 % similar 5,5,6,6,7,7,7-Heptafluoroheptane-2,4-dione356-30-966 % similar Ethyl heptafluorobutyrylacetate336-62-957 % similar 2,2,6,6-Tetramethyl-3,5-heptanedione1118-71-454 % similar 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione22767-90-453 % similar 3,3,4,4,5,5,5-Heptafluoro-2-pentanone355-17-947 % similar 4,4,5,5,6,6,6-Heptafluoro-1-(2-thienyl)-1,3-hexanedione559-94-447 % similar Ethyl 2,2,3,3,4,4,4-heptafluorobutanoate356-27-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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