chempirical

3-Ethoxy-1,1,1,2,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexane

C9H5F15OCAS 297730-93-9414.11 g/mol

Open in Covalent MOL file
OFFFFFFFFFFFFFFF
Alkyl halideEther

Properties

Molecular formula
C9H5F15O
Molar mass
414.11 g/mol
Exact mass
414.0101 Da
logP
5.35Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5

Identifiers

CAS number
297730-93-9
SMILES
CCOC(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIKey
HHBBIOLEJRWIGU-UHFFFAOYSA-N
InChI
InChI=1S/C9H5F15O/c1-2-25-6(15,3(10,7(16,17)18)8(19,20)21)4(11,12)5(13,14)9(22,23)24/h2H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • Hexane, 3-ethoxy-1,1,1,2,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)-
  • 3-Ethoxyperfluoro(2-methylhexane)
  • HFE 7500
  • Novec HFE 7500
  • Novec engineered fluid HFE 7500
  • Novec 7500
  • 2-Trifluoromethyl-3-ethoxydodeca-fluorohexane

Work with 3-Ethoxy-1,1,1,2,3,4,4,5,5,6,6,6-dodecafluoro-2-(trifluoromethyl)hexane

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

Ethyl perfluorobutyl ether163702-05-455 % similar Ethyl nonafluoroisobutyl ether163702-06-552 % similar 1,1,1,2,2,3,4,5,5,5-Decafluoro-3-methoxy-4-(trifluoromethyl)pentane132182-92-450 % similar Perfluoro(2-methylpentane)355-04-443 % similar Nonafluorohexyltriethoxysilane102390-98-738 % similar Fc-75335-36-438 % similar 1H,1H,2H,2H-Perfluorodecyltriethoxysilane101947-16-438 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate30377-52-738 % similar

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

Elsewhere

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