chempirical

Perfluorododecanoic acid

C12HF23O2CAS 307-55-1614.10 g/mol

Open in Covalent MOL file
OHOFFFFFFFFFFFFFFFFFFFFFFF
Alkyl halideCarboxylic acid

Properties

Molecular formula
C12HF23O2
Molar mass
614.10 g/mol
Exact mass
613.9609 Da
Melting point
108 °C
Boiling point
249 °C
logP
6.99Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
10

Identifiers

CAS number
307-55-1
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)F
InChIKey
CXGONMQFMIYUJR-UHFFFAOYSA-N
InChI
InChI=1S/C12HF23O2/c13-2(14,1(36)37)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)35/h(H,36,37)

Weigh it out

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

Names and synonyms

6 names
  • Dodecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluoro-
  • Dodecanoic acid, tricosafluoro-
  • 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Tricosafluorododecanoic acid
  • Perfluorolauric acid
  • 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Tricosafluorododecanoic acid
  • PFDoDA

Work with Perfluorododecanoic 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Perfluorooctadecanoic acid16517-11-6100 % similar Perfluorohexanoic acid307-24-4100 % 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

PubChem CAS Common Chemistry NIST WebBook