chempirical

2-(2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptyl)oxirane

C9H5F13OCAS 38565-52-5376.12 g/mol

Open in Covalent MOL file
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Alkyl halideEpoxideEther

Properties

Molecular formula
C9H5F13O
Molar mass
376.12 g/mol
Exact mass
376.0133 Da
Boiling point
120 °C (at 0.5 Torr)
logP
4.51Crippen estimate
Polar surface area
12.5 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
6

Identifiers

CAS number
38565-52-5
SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1
InChIKey
KGYUZRBIQCDOCN-UHFFFAOYSA-N
InChI
InChI=1S/C9H5F13O/c10-4(11,1-3-2-23-3)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3H,1-2H2

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

Names and synonyms

6 names
  • Oxirane, 2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)-
  • Oxirane, (2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)-
  • 3-(Perfluorohexyl)propylene oxide
  • 3-Perfluorohexyl-1,2-epoxypropane
  • E 1630
  • 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptyloxirane

Work with 2-(2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptyl)oxirane

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-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl)oxirane38565-53-6100 % similar 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heneicosafluoroundecyl)oxirane38565-54-7100 % similar 2-[2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-Hexadecafluoro-8-(trifluoromethyl)nonyl]oxirane41925-33-176 % similar 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononane-1,2-diol107650-06-650 % similar 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-1,2-undecanediol94159-84-950 % similar 1H,1H-Perfluorooctanol307-30-247 % similar 1H,1H-Perfluoroundecan-1-ol307-46-047 % similar 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1-heptanol375-82-647 % similar

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

Elsewhere

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