chempirical

Methyl perfluorooctanoate

C9H3F15O2CAS 376-27-2428.10 g/mol

Open in Covalent MOL file
OOFFFFFFFFFFFFFFF
Alkyl halideEster

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

Identifiers

CAS number
376-27-2
SMILES
COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
XOCNYZFAMHDXJK-UHFFFAOYSA-N
InChI
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/h1H3

Weigh 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 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 2,2,3,3,4,4,4-heptafluorobutanoate356-24-185 % similar Methyl 2,2,3,3,3-pentafluoropropanoate378-75-668 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate30377-52-762 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate3108-24-562 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate41430-70-062 % similar Heptafluorobutyric anhydride336-59-457 % similar

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

Elsewhere

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