chempirical

ω-Hydroperfluorovaleric acid

C5H2F8O2CAS 376-72-7246.06 g/mol

Open in Covalent MOL file
OHOFFFFFFFF
Alkyl halideCarboxylic acid

Properties

Molecular formula
C5H2F8O2
Molar mass
246.06 g/mol
Exact mass
245.9927 Da
Boiling point
155–160 °C
logP
2.24Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Identifiers

CAS number
376-72-7
SMILES
O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIKey
VGFKXVSMDOKOJZ-UHFFFAOYSA-N
InChI
InChI=1S/C5H2F8O2/c6-1(7)3(8,9)5(12,13)4(10,11)2(14)15/h1H,(H,14,15)

Weigh it out

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

Names and synonyms

7 names
  • Pentanoic acid, 2,2,3,3,4,4,5,5-octafluoro-
  • Valeric acid, 2,2,3,3,4,4,5,5-octafluoro-
  • 2,2,3,3,4,4,5,5-Octafluoropentanoic acid
  • ω-Monohydrooctafluoropentanoic acid
  • ω-Hydrooctafluorovaleric acid
  • 2,2,3,3,4,4,5,5,-Octafluoropentanoic acid
  • 5-H-Octafluoropentanoic acid

Work with ω-Hydroperfluorovaleric 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

2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoic acid1546-95-886 % similar ω-Hydroperfluoroundecanoic acid1765-48-686 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononanoic acid76-21-186 % similar 2,2,3,3,4,4,5,5-Octafluorohexanedioic acid336-08-363 % similar Hexafluoroglutaric acid376-73-863 % similar 2,2,3,3,4,4,5,5-Octafluoropentanoyl chloride376-71-658 % similar Perfluorobutanoic acid375-22-457 % similar Perfluoropentanoic acid2706-90-355 % similar

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

Elsewhere

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