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Ethyl nonafluorobutyl ether

CAT: 0127-PC3797-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0127-PC3797-01Size:100 g
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CAS Number
813458-04-7
Synonyms
Ethyl perfluorobutyl ether, Ethoxynonafluorobutane
MDL Number
MFCD01862062
Purity
=95%
Smiles
CCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Additionnal Information
Mixture of n- and iso-butyl isomers
Notes
Non-ozone depleting solvent, available in bulk

Chemical Information

Ethoxynonafluorobutane

used in HPLC

CAS Number813458-04-7
PubChem CID206000
IUPAC Name1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane
Molecular FormulaC6H5F9O
Molecular Weight264.09
XLogP3.7
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity243
SMILES
CCOC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H5F9O/c1-2-16-6(14,15)4(9,10)3(7,8)5(11,12)13/h2H2,1H3
InChIKey
DFUYAWQUODQGFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethoxynonafluorobutane
CAS: 813458-04-7
CID: 206000
Formula: C6H5F9O
MW: 264.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight264.09
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass264.01966824
Monoisotopic Mass264.01966824
Topological Polar Surface Area9.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity243
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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