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Bis (3-fluoropropyl) ether

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CAS Number
1346521-29-6
Purity
=95%
Smiles
FCCCOCCCF

Chemical Information

Bis(3-fluoropropyl)ether
CAS Number1346521-29-6
PubChem CID56776417
IUPAC Name1-fluoro-3-(3-fluoropropoxy)propane
Molecular FormulaC6H12F2O
Molecular Weight138.16
XLogP1.5
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count9
Formal Charge0
Complexity44
SMILES
C(COCCCF)CF
InChI
InChI=1S/C6H12F2O/c7-3-1-5-9-6-2-4-8/h1-6H2
InChIKey
BXMFLYHFMIHQRT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis(3-fluoropropyl)ether
CAS: 1346521-29-6
CID: 56776417
Formula: C6H12F2O
MW: 138.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.16
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass138.08562133
Monoisotopic Mass138.08562133
Topological Polar Surface Area9.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity44.3
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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