Difluoroacetonitrile

CAT: 0024-sc-326824ASize: 25 gDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-326824ASize:25 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

359-12-6

Chemical Information

Acetonitrile, difluoro-

CAS Number	359-12-6
PubChem CID	120219
IUPAC Name	2,2-difluoroacetonitrile
Molecular Formula	C2HF2N
Molecular Weight	77.03
XLogP	0.8
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	5
Formal Charge	0
Complexity	59

SMILES

C(#N)C(F)F

InChI

InChI=1S/C2HF2N/c3-2(4)1-5/h2H

InChIKey

DQFXLCKTFSDWHB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 359-12-6

CID: 120219

Formula: C2HF2N

MW: 77.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	77.03
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	77.00770536
Monoisotopic Mass	77.00770536
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	59.3
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

Catalog	Name
PC4811-01	Difluoroacetonitrile
HHC68132-01	2- (3,4-Dichlorophenyl) -2,2-difluoroacetonitrile