Perfluorododecanoic 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
Hazards
Danger
- H314 Causes severe skin burns and eye damage11.1% of notifiers
- H315 Causes skin irritation86.7% of notifiers
- H319 Causes serious eye irritation86.7% of notifiers
- H335 May cause respiratory irritation86.7% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
307-55-1SMILES
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)FInChIKey
CXGONMQFMIYUJR-UHFFFAOYSA-NInChI
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.