chempirical

Methyl perfluoroisobutyl ether

C5H3F9OCAS 163702-08-7250.06 g/mol

Open in Covalent MOL file
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Alkyl halideEther

Properties

Molecular formula
C5H3F9O
Molar mass
250.06 g/mol
Exact mass
250.0040 Da
logP
3.06Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
163702-08-7
SMILES
COC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIKey
DJXNLVJQMJNEMN-UHFFFAOYSA-N
InChI
InChI=1S/C5H3F9O/c1-15-5(13,14)2(6,3(7,8)9)4(10,11)12/h1H3

Weigh it out

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

Names and synonyms

6 names
  • Propane, 2-(difluoromethoxymethyl)-1,1,1,2,3,3,3-heptafluoro-
  • 2-(Difluoromethoxymethyl)-1,1,1,2,3,3,3-heptafluoropropane
  • Perfluoroisobutyl methyl ether
  • Methyl nonafluoroisobutyl ether
  • i 7100
  • 1,1,2,3,3,3-Hexafluoro-1-methoxy-2-(trifluoromethyl)propane

Work with Methyl perfluoroisobutyl ether

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

Methyl perfluoropropyl ether375-03-157 % similar Ethyl nonafluoroisobutyl ether163702-06-550 % similar 1,1,1,2,2,3,4,5,5,5-Decafluoro-3-methoxy-4-(trifluoromethyl)pentane132182-92-448 % similar Methyl 2,2,3,3-tetrafluoro-3-methoxypropanoate755-73-735 % similar Perfluoromethylcyclopentane1805-22-735 % similar Perfluoro-1,2-dimethylcyclohexane306-98-935 % similar Perfluoromethylcyclohexane355-02-235 % similar 1-Methoxy-1,1,2,2-tetrafluoroethane425-88-735 % similar

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

Same formula

Methyl nonafluorobutyl ether163702-07-6

Elsewhere

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