Fluoroiodoacetonitrile

CAT: 0127-PC3637Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-PC3637Size:1 Each

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CAS Number

885276-30-2

MDL Number

MFCD07784279

Purity

97%

Smiles

FC(I)C#N

Chemical Information

Fluoroiodoacetonitrile

CAS Number	885276-30-2
PubChem CID	44717405
IUPAC Name	2-fluoro-2-iodoacetonitrile
Molecular Formula	C2HFIN
Molecular Weight	184.94
XLogP	1.1
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	5
Formal Charge	0
Complexity	63

SMILES

C(#N)C(F)I

InChI

InChI=1S/C2HFIN/c3-2(4)1-5/h2H

InChIKey

PLTKTEWMOUTMMM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 885276-30-2

CID: 44717405

Formula: C2HFIN

MW: 184.94

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.94
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	184.91377
Monoisotopic Mass	184.91377
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	63.3
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-263331	Fluoroiodoacetonitrile