chempirical

Frd-903

C6HF11O3CAS 13252-13-6330.05 g/mol

Open in Covalent MOL file
OOHFOFFFFFFFFFF
Alkyl halideCarboxylic acidEther

Properties

Molecular formula
C6HF11O3
Molar mass
330.05 g/mol
Exact mass
329.9750 Da
logP
3.11Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Identifiers

CAS number
13252-13-6
SMILES
O=C(O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIKey
CSEBNABAWMZWIF-UHFFFAOYSA-N
InChI
InChI=1S/C6HF11O3/c7-2(1(18)19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15/h(H,18,19)

Weigh it out

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

Names and synonyms

15 names · show all
  • Propanoic acid, 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-
  • Propionic acid, 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)-
  • Propanoic acid, 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)-
  • 2,3,3,3-Tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid
  • Perfluoro-2-(propyloxy)propionic acid
  • Perfluoro-α-propoxypropionic acid
  • (±)-Perfluoro(2-propoxypropionic) acid
  • Perfluoro-2-propoxypropanoic acid
  • Perfluoro-2-methyl-3-oxahexanoic acid
  • Perfluoro-2-propoxypropionic acid
  • 2,3,3,3-Tetrafluoro-2-(1,1,2,2,3,3,3,heptafluoropropoxy)propanoic acid
  • 2,3,3,3-Tetrafluoro-2-(heptafluoropropoxy)-propanoate
  • Perfuoro-2-methyl-3-oxa-hexanoic acid
  • 2,3,3,3-Tetrafluoro-2-(heptafluoropropoxy)propanoic acid
  • GenX

Work with Frd-903

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

2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoic acid13252-14-782 % similar 2,3,3,3-Tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl fluoride2062-98-862 % similar 2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoyl fluoride2641-34-153 % similar 2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propanoyl fluoride27639-98-153 % similar 2,4,4,5,7,7,8,10,10,11,13,13,14,14,15,15,15-Heptadecafluoro-2,5,8,11-tetrakis(trifluoromethyl)-3,6,9,12-tetraoxapentadecanoyl fluoride34761-47-253 % similar Perfluorooctadecanoic acid16517-11-650 % similar Perfluorohexanoic acid307-24-450 % similar Perfluorododecanoic acid307-55-150 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia