chempirical

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctanamide

C8H2F15NOCAS 423-54-1413.09 g/mol

Open in Covalent MOL file
NH2OFFFFFFFFFFFFFFF
Alkyl halide

Properties

Molecular formula
C8H2F15NO
Molar mass
413.09 g/mol
Exact mass
412.9897 Da
Melting point
137 °C
logP
4.90Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
6

Identifiers

CAS number
423-54-1
SMILES
N=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
UGMUDSKJLAUMTC-UHFFFAOYSA-N
InChI
InChI=1S/C8H2F15NO/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H2,24,25)

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

Names and synonyms

6 names
  • Octanamide, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-
  • Perfluorocaprylamide
  • Perfluorooctanamide
  • Perfluorooctylamide
  • Pentadecafluorooctanamide
  • Perfluorooctanoic acid amide

Work with 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctanamide

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

Heptafluorobutyramide662-50-083 % similar 2,2,3,3,3-Pentafluoropropanamide354-76-764 % similar 2,2,3,3-Tetrafluorobutanediamide377-37-758 % similar Perfluorooctadecanoic acid16517-11-653 % similar Perfluorohexanoic acid307-24-453 % similar Perfluorododecanoic acid307-55-153 % similar Perfluorooctanoic acid335-67-153 % similar Perfluorodecanoic acid335-76-253 % similar

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

Elsewhere

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