chempirical

2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluorooctanedioic acid

C8H2F12O4CAS 678-45-5390.08 g/mol

Open in Covalent MOL file
OOHOFFFFFFFFFFFFOH
Alkyl halideCarboxylic acid

Properties

Molecular formula
C8H2F12O4
Molar mass
390.08 g/mol
Exact mass
389.9761 Da
logP
2.97Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
7

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
678-45-5
SMILES
C(=O)(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChIKey
QYCPVKMFWNBDPV-UHFFFAOYSA-N
InChI
InChI=1S/C8H2F12O4/c9-3(10,1(21)22)5(13,14)7(17,18)8(19,20)6(15,16)4(11,12)2(23)24/h(H,21,22)(H,23,24)

Weigh it out

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Names and synonyms

1 names
  • Dodecafluorosuberic acid

Work with 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluorooctanedioic 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 acid23453-64-7100 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorodecanedioic acid307-78-8100 % 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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