chempirical

4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic acid

C11H5F17O2CAS 34598-33-9492.13 g/mol

Open in Covalent MOL file
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Alkyl halideCarboxylic acid

Properties

Molecular formula
C11H5F17O2
Molar mass
492.13 g/mol
Exact mass
492.0018 Da
Melting point
91–92 °C
logP
5.86Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
9

Identifiers

CAS number
34598-33-9
SMILES
O=C(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
JZRCRCFPVAXHHQ-UHFFFAOYSA-N
InChI
InChI=1S/C11H5F17O2/c12-4(13,2-1-3(29)30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2H2,(H,29,30)

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

Names and synonyms

4 names
  • Undecanoic acid, 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-
  • 3-Perfluorooctylpropionic acid
  • Heptadecafluoroundecanoic acid
  • 2H,2H,3H,3H-Perfluoroundecanoic acid

Work with 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic 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-(Perfluorohexyl)ethanol647-42-752 % similar (Perfluorooctyl)ethanol678-39-752 % similar 4,4,4-Trifluorobutanoic acid406-93-950 % similar 1H,1H,2H,2H-Perfluorooctanesulfonic acid27619-97-249 % similar 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1-nonanol80806-68-449 % similar 2-(Perfluorobutyl)ethanol2043-47-248 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iododecane2043-53-047 % similar 1-Iodo-1H,1H,2H,2H-perfluorododecane2043-54-147 % similar

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

Same formula

Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate30377-52-7

Elsewhere

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