chempirical

Perfluorohexadecanoic acid

C16HF31O2CAS 67905-19-5814.13 g/mol

Open in Covalent MOL file
OOHFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFF
Alkyl halideCarboxylic acid

Properties

Molecular formula
C16HF31O2
Molar mass
814.13 g/mol
Exact mass
813.9482 Da
logP
9.53Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
14

Identifiers

CAS number
67905-19-5
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)F
InChIKey
OJMBMWRMTMHMSZ-UHFFFAOYSA-N
InChI
InChI=1S/C16HF31O2/c17-2(18,1(48)49)3(19,20)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)16(45,46)47/h(H,48,49)

Weigh it out

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

Names and synonyms

4 names
  • Hexadecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontafluoro-
  • Hexadecanoic acid, hentriacontafluoro-
  • 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-Hentriacontafluorohexadecanoic acid
  • PFHxDA

Work with Perfluorohexadecanoic 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

Perfluorooctadecanoic acid16517-11-6100 % similar 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

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

Elsewhere

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