chempirical

1-(1,1,2,2-Tetrafluoroethoxy)butane

C6H10F4OCAS 358-37-2174.14 g/mol

Open in Covalent MOL file
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Alkyl halideEther

Properties

Molecular formula
C6H10F4O
Molar mass
174.14 g/mol
Exact mass
174.0668 Da
logP
2.66Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5

Identifiers

CAS number
358-37-2
SMILES
CCCCOC(F)(F)C(F)F
InChIKey
CIVGBESMFDRXNF-UHFFFAOYSA-N
InChI
InChI=1S/C6H10F4O/c1-2-3-4-11-6(9,10)5(7)8/h5H,2-4H2,1H3

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Names and synonyms

2 names
  • Butane, 1-(1,1,2,2-tetrafluoroethoxy)-
  • Ether, butyl 1,1,2,2-tetrafluoroethyl

Work with 1-(1,1,2,2-Tetrafluoroethoxy)butane

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

1-Ethoxy-1,1,2,2-tetrafluoroethane512-51-659 % similar 1,1,2,2-Tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane406-78-047 % similar 1,1,2,2-Tetrafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane16627-68-245 % similar 3-(1,1,2,2-Tetrafluoroethoxy)-1-propene1428-33-742 % similar 1-Methoxy-1,1,2,2-tetrafluoroethane425-88-741 % similar 1,1′,1′′-[Methylidynetris(oxy)]tris[butane]588-43-238 % similar Butyl ethyl ether628-81-938 % similar Dibutyl ether142-96-137 % similar

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

Elsewhere

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