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Bis (2,2,2-trifluoroethoxy) methane

CAT: 0127-PC1008647-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-PC1008647-01Size:5 g
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CAS Number
6263-71-4
Synonyms
1,1,1-Trifluoro-2-[ (2,2,2-trifluoroethoxy) methoxy]ethane
Purity
>98.0%
Smiles
C (C (F) (F) F) OCOCC (F) (F) F

Chemical Information

Bis(2,2,2-trifluoroethoxy)methane
CAS Number6263-71-4
PubChem CID11367834
IUPAC Name1,1,1-trifluoro-2-(2,2,2-trifluoroethoxymethoxy)ethane
Molecular FormulaC5H6F6O2
Molecular Weight212.09
XLogP2.3
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity123
SMILES
C(C(F)(F)F)OCOCC(F)(F)F
InChI
InChI=1S/C5H6F6O2/c6-4(7,8)1-12-3-13-2-5(9,10)11/h1-3H2
InChIKey
KKHZAEZCSWPRGO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis(2,2,2-trifluoroethoxy)methane
CAS: 6263-71-4
CID: 11367834
Formula: C5H6F6O2
MW: 212.09
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight212.09
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass212.02719840
Monoisotopic Mass212.02719840
Topological Polar Surface Area18.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity123
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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