chempirical

Perfluorononanoic acid

C9HF17O2CAS 375-95-1464.08 g/mol

Open in Covalent MOL file
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Alkyl halideCarboxylic acid

Properties

Molecular formula
C9HF17O2
Molar mass
464.08 g/mol
Exact mass
463.9705 Da
Melting point
69–71 °C
logP
5.08Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
7

Identifiers

CAS number
375-95-1
SMILES
O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
UZUFPBIDKMEQEQ-UHFFFAOYSA-N
InChI
InChI=1S/C9HF17O2/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h(H,27,28)

Weigh it out

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

Names and synonyms

7 names
  • Nonanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-
  • Nonanoic acid, heptadecafluoro-
  • 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononanoic acid
  • Perfluoropelargonic acid
  • Heptadecafluorononanoic acid
  • C 1800
  • PFNA

Work with Perfluorononanoic 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 acid16517-11-6100 % similar Perfluorohexanoic acid307-24-4100 % similar Perfluorododecanoic acid307-55-1100 % similar Perfluorooctanoic acid335-67-1100 % similar Perfluorodecanoic acid335-76-2100 % similar Perfluoroheptanoic acid375-85-9100 % similar Perfluorotetradecanoic acid376-06-7100 % similar Perfluorohexadecanoic acid67905-19-5100 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia