2,2,3,3,4,4,5,5-Octafluorohexanedioic acid

C₆H₂F₈O₄CAS 336-08-3290.07 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₆H₂F₈O₄
Molar mass: 290.07 g/mol
Exact mass: 289.9825 Da
Melting point: 134 °C
logP: 1.70Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

336-08-3

SMILES

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

InChIKey

AXRSOGFYDSXLQX-UHFFFAOYSA-N

InChI

InChI=1S/C6H2F8O4/c7-3(8,1(15)16)5(11,12)6(13,14)4(9,10)2(17)18/h(H,15,16)(H,17,18)

Weigh it out

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

Names and synonyms

5 names

Hexanedioic acid, 2,2,3,3,4,4,5,5-octafluoro-
Hexanedioic acid, octafluoro-
Octafluorohexanedioic acid
Perfluoroadipic acid
Octafluoroadipic acid

Work with 2,2,3,3,4,4,5,5-Octafluorohexanedioic acid

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

Perfluoroazelaic acid23453-64-795 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorodecanedioic acid307-78-895 % similar 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluorooctanedioic acid678-45-595 % similar Perfluoro-1,10-decanedicarboxylic acid865-85-095 % similar Hexafluoroglutaric acid376-73-889 % similar Perfluoropentanoic acid2706-90-382 % similar Perfluorooctadecanoic acid16517-11-678 % similar Perfluorohexanoic acid307-24-478 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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