2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononanoic acid

C₉H₂F₁₆O₂CAS 76-21-1446.09 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₉H₂F₁₆O₂
Molar mass: 446.09 g/mol
Exact mass: 445.9799 Da
Melting point: 62–68 °C
Boiling point: 220–230 °C
logP: 4.78Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 8

Hazards

Warning

H302 Harmful if swallowed95.1% of notifiers
H315 Causes skin irritation92.7% of notifiers
H319 Causes serious eye irritation92.7% of notifiers

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

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

76-21-1

SMILES

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

InChIKey

RARQGXBOCXOJPM-UHFFFAOYSA-N

InChI

InChI=1S/C9H2F16O2/c10-1(11)3(12,13)5(16,17)7(20,21)9(24,25)8(22,23)6(18,19)4(14,15)2(26)27/h1H,(H,26,27)

Weigh it out

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

Names and synonyms

3 names

Nonanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-
9-H-Hexadecafluorononanoic acid
C 5800

Work with 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononanoic 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoic acid1546-95-8100 % similar ω-Hydroperfluoroundecanoic acid1765-48-6100 % similar ω-Hydroperfluorovaleric acid376-72-786 % similar Perfluoroazelaic acid23453-64-768 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorodecanedioic acid307-78-868 % similar 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluorooctanedioic acid678-45-568 % similar Perfluoro-1,10-decanedicarboxylic acid865-85-068 % similar 2,2,3,3,4,4,5,5-Octafluorohexanedioic acid336-08-364 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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