chempirical

Perfluoroazelaic acid

C9H2F14O4CAS 23453-64-7440.09 g/mol

Open in Covalent MOL file
OOOHFFFFFFFFFFFFFFHO
Alkyl halideCarboxylic acid

Properties

Molecular formula
C9H2F14O4
Molar mass
440.09 g/mol
Exact mass
439.9730 Da
logP
3.60Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
23453-64-7
SMILES
C(=O)(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChIKey
WRYSWXOLGMKBKW-UHFFFAOYSA-N
InChI
InChI=1S/C9H2F14O4/c10-3(11,1(24)25)5(14,15)7(18,19)9(22,23)8(20,21)6(16,17)4(12,13)2(26)27/h(H,24,25)(H,26,27)

Weigh it out

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

Work with Perfluoroazelaic 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

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorodecanedioic acid307-78-8100 % similar 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluorooctanedioic acid678-45-5100 % similar Perfluoro-1,10-decanedicarboxylic acid865-85-0100 % similar 2,2,3,3,4,4,5,5-Octafluorohexanedioic acid336-08-395 % similar Hexafluoroglutaric acid376-73-885 % similar Perfluorooctadecanoic acid16517-11-683 % similar Perfluorohexanoic acid307-24-483 % similar Perfluorododecanoic acid307-55-183 % similar

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

Elsewhere

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