Methyl perfluorooctanoate
Properties
- Molecular formula
- C9H3F15O2
- Molar mass
- 428.10 g/mol
- Exact mass
- 427.9894 Da
- Boiling point
- 158 °C
- logP
- 4.53Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 6
Hazards
Warning
- H315 Causes skin irritation97.6% of notifiers
- H319 Causes serious eye irritation97.6% of notifiers
- H335 May cause respiratory irritation95.1% of notifiers
Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
376-27-2SMILES
COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)FInChIKey
XOCNYZFAMHDXJK-UHFFFAOYSA-NInChI
InChI=1S/C9H3F15O2/c1-26-2(25)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, methyl ester
- Octanoic acid, pentadecafluoro-, methyl ester
- Methyl pentadecafluorooctanoate
- Perfluorooctanoic acid methyl ester
- P 1453
Work with Methyl perfluorooctanoate
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
Methyl perfluoroheptanoate14312-89-1100 % similar
Methyl perfluorohexadecanoate165457-57-8100 % similar
Methyl perfluorotetradecanoate203302-99-2100 % similar
Methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate307-79-9100 % similar
Methyl perfluorononanoate51502-45-5100 % similar
Methyl perfluorododecanoate56554-52-0100 % similar
Methyl 2,2,3,3,4,4,4-heptafluorobutanoate356-24-185 % similar
Dimethyl dodecafluorosuberate2062-20-685 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.