chempirical

Perfluorooctadecanoic acid

C18HF35O2CAS 16517-11-6914.15 g/mol

Open in Covalent MOL file
OOHFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFF
Alkyl halideCarboxylic acid

Properties

Molecular formula
C18HF35O2
Molar mass
914.15 g/mol
Exact mass
913.9418 Da
logP
10.80Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
16

Identifiers

CAS number
16517-11-6
SMILES
O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(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
ZTSDOGSKTICNPQ-UHFFFAOYSA-N
InChI
InChI=1S/C18HF35O2/c19-2(20,1(54)55)3(21,22)4(23,24)5(25,26)6(27,28)7(29,30)8(31,32)9(33,34)10(35,36)11(37,38)12(39,40)13(41,42)14(43,44)15(45,46)16(47,48)17(49,50)18(51,52)53/h(H,54,55)

Weigh it out

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

Names and synonyms

5 names
  • Octadecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentatriacontafluoro-
  • Octadecanoic acid, pentatriacontafluoro-
  • 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-Pentatriacontafluorooctadecanoic acid
  • Perfluorostearic acid
  • Perfluoro n-octadecanoic acid

Work with Perfluorooctadecanoic 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

Perfluorohexanoic acid307-24-4100 % similar Perfluorododecanoic acid307-55-1100 % similar Perfluorooctanoic acid335-67-1100 % similar Perfluorodecanoic acid335-76-2100 % similar Perfluoroheptanoic acid375-85-9100 % similar Perfluorononanoic acid375-95-1100 % similar Perfluorotetradecanoic acid376-06-7100 % similar Perfluorohexadecanoic acid67905-19-5100 % similar

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

Elsewhere

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