chempirical

Perfluoro-1,10-decanedicarboxylic acid

C12H2F20O4CAS 865-85-0590.11 g/mol

Open in Covalent MOL file
OOOHFFFFFFFFFFFFFFFFFFFFHO
Alkyl halideCarboxylic acid

Properties

Molecular formula
C12H2F20O4
Molar mass
590.11 g/mol
Exact mass
589.9634 Da
logP
5.51Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
11

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
865-85-0
SMILES
C(=O)(C(C(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)(F)F)(F)F)O
InChIKey
PJXYUQMFTNTTLI-UHFFFAOYSA-N
InChI
InChI=1S/C12H2F20O4/c13-3(14,1(33)34)5(17,18)7(21,22)9(25,26)11(29,30)12(31,32)10(27,28)8(23,24)6(19,20)4(15,16)2(35)36/h(H,33,34)(H,35,36)

Weigh it out

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

Work with Perfluoro-1,10-decanedicarboxylic 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 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluorooctanedioic acid678-45-5100 % 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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