chempirical

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

C10H2F16O4CAS 307-78-8490.10 g/mol

Open in Covalent MOL file
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Alkyl halideCarboxylic acid

Properties

Molecular formula
C10H2F16O4
Molar mass
490.10 g/mol
Exact mass
489.9698 Da
logP
4.24Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
9

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
307-78-8
SMILES
C(=O)(C(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChIKey
YPCSMEGZIYWAAZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H2F16O4/c11-3(12,1(27)28)5(15,16)7(19,20)9(23,24)10(25,26)8(21,22)6(17,18)4(13,14)2(29)30/h(H,27,28)(H,29,30)

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Names and synonyms

1 names
  • Hexadecafluorosebacic acid

Work with 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorodecanedioic 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-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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