chempirical

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
OHOFFFFFFFFFFFFFFFF
Alkyl halideCarboxylic 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
8

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 2,2,3,3,4,4,5,5-Octafluorohexanedioic acid336-08-364 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononanoyl chloride423-95-060 % similar Perfluorooctadecanoic acid16517-11-659 % similar Perfluorohexanoic acid307-24-459 % similar Perfluorododecanoic acid307-55-159 % similar

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

Elsewhere

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