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2,2-Difluoropropionic anhydride

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CAS Number
173900-46-4
Synonyms
2,2-Difluoropropanoyl 2,2-difluoropropanoate
MDL Number
MFCD18379751
Purity
=95%
Smiles
CC(F)(F)C(=O)OC(=O)C(C)(F)F

Chemical Information

2,2-Difluoropropanoic anhydride
CAS Number173900-46-4
PubChem CID51000092
IUPAC Name2,2-difluoropropanoyl 2,2-difluoropropanoate
Molecular FormulaC6H6F4O3
Molecular Weight202.10
XLogP2
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity212
SMILES
CC(C(=O)OC(=O)C(C)(F)F)(F)F
InChI
InChI=1S/C6H6F4O3/c1-5(7,8)3(11)13-4(12)6(2,9)10/h1-2H3
InChIKey
XKJXNFVMEATXPN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2-Difluoropropanoic anhydride
CAS: 173900-46-4
CID: 51000092
Formula: C6H6F4O3
MW: 202.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.10
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass202.02530670
Monoisotopic Mass202.02530670
Topological Polar Surface Area43.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity212
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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