chempirical

Perfluoropentanoic acid

C5HF9O2CAS 2706-90-3264.05 g/mol

Open in Covalent MOL file
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Alkyl halideCarboxylic acid

Properties

Molecular formula
C5HF9O2
Molar mass
264.05 g/mol
Exact mass
263.9833 Da
Density
1.713 g/mL (at 20 °C)
Boiling point
139 °C (at 749 Torr)
logP
2.54Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Identifiers

CAS number
2706-90-3
SMILES
O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
CXZGQIAOTKWCDB-UHFFFAOYSA-N
InChI
InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)

Weigh it out

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

Names and synonyms

9 names
  • Pentanoic acid, 2,2,3,3,4,4,5,5,5-nonafluoro-
  • Valeric acid, nonafluoro-
  • Pentanoic acid, nonafluoro-
  • 2,2,3,3,4,4,5,5,5-Nonafluoropentanoic acid
  • Perfluorovaleric acid
  • Nonafluoropentanoic acid
  • Nonafluorovaleric acid
  • NSC 18404
  • PFPeA

Work with Perfluoropentanoic 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Perfluorooctadecanoic acid16517-11-696 % similar Perfluorohexanoic acid307-24-496 % similar Perfluorododecanoic acid307-55-196 % similar Perfluorooctanoic acid335-67-196 % similar Perfluorodecanoic acid335-76-296 % similar Perfluoroheptanoic acid375-85-996 % similar Perfluorononanoic acid375-95-196 % similar Perfluorotetradecanoic acid376-06-796 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook