2,2-Difluoropropanimidamide

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CAS Number

49781-50-2

MDL Number

MFCD32757226

Purity

=95%

Smiles

CC(F)(F)C(N)=N

Chemical Information

2,2-Difluoropropanimidamide

CAS Number	49781-50-2
PubChem CID	54521258
IUPAC Name	2,2-difluoropropanimidamide
Molecular Formula	C3H6F2N2
Molecular Weight	108.09
XLogP	0.3
Topological Polar Surface Area	49.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	7
Formal Charge	0
Complexity	88

SMILES

CC(C(=N)N)(F)F

InChI

InChI=1S/C3H6F2N2/c1-3(4,5)2(6)7/h1H3,(H3,6,7)

InChIKey

YPZXTESEBLYFRJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 49781-50-2

CID: 54521258

Formula: C3H6F2N2

MW: 108.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	108.09
XLogP3	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	108.04990452
Monoisotopic Mass	108.04990452
Topological Polar Surface Area	49.9 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	88.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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