1,1,1,3,5,5,5-Heptafluoropentane-2,4-dione

C₅HF₇O₂CAS 77968-17-3226.05 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₅HF₇O₂
Molar mass: 226.05 g/mol
Exact mass: 225.9865 Da
logP: 1.59Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

77968-17-3

SMILES

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

InChIKey

GRHYFDZMGZYXAP-UHFFFAOYSA-N

InChI

InChI=1S/C5HF7O2/c6-1(2(13)4(7,8)9)3(14)5(10,11)12/h1H

Weigh it out

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

Names and synonyms

1 names

3H-Heptafluoropentane-2,4-dione

Work with 1,1,1,3,5,5,5-Heptafluoropentane-2,4-dione

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

1,1-Dibromo-3,3,3-trifluoroacetone431-67-452 % similar 3-Bromo-1,1,1-trifluorobutan-2-one382-01-446 % similar Hexafluoroacetylacetone1522-22-139 % similar 1,1,1,3,3,3-Hexafluoro(2-2H)propan-2-(2H)ol38701-74-538 % similar Hexafluoroacetone684-16-238 % similar Ethyl 2-methyl-4,4,4-trifluoroacetoacetate344-00-336 % similar Ethyl 2-chloro-4,4,4-trifluoroacetoacetate363-58-635 % similar Trifluoroacetic acid-d599-00-835 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook