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1,1-Difluoroacetone

CAT: 0024-sc-297884Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-297884Size:1 g
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CAS Number
431-05-0

Chemical Information

1,1-Difluoropropan-2-one
CAS Number431-05-0
PubChem CID3494771
IUPAC Name1,1-difluoropropan-2-one
Molecular FormulaC3H4F2O
Molecular Weight94.06
XLogP0.8
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity59
SMILES
CC(=O)C(F)F
InChI
InChI=1S/C3H4F2O/c1-2(6)3(4)5/h3H,1H3
InChIKey
XHILZHAQBOLGFD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1-Difluoropropan-2-one
CAS: 431-05-0
CID: 3494771
Formula: C3H4F2O
MW: 94.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight94.06
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass94.02302107
Monoisotopic Mass94.02302107
Topological Polar Surface Area17.1 Ų
Heavy Atom Count6
Formal Charge0
Complexity59.8
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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CatalogName
PC1013-011,1-Difluoroacetone
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PC1072943-Bromo-1,1-difluoroacetone
PC1073083-Chloro-1,1-difluoroacetone
PC74773-Benzoyl-1,1-difluoroacetone
PC450064-011,1-Dibromo-3,3-difluoroacetone
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