3- (2-Fluoroethoxy) Propanenitrile

CAT: 0926-FF80270-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-FF80270-01Size:0.5 g

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CAS Number

353-18-4

MDL Number

MFCD01695425

Smiles

C (COCCF) C#N

Molecular Formula

C5H8FNO

Molecular Weight

117.12 g/mol

Controlled

Chemical Information

Propionitrile, 3-(2-fluoroethoxy)-

CAS Number	353-18-4
PubChem CID	67706
IUPAC Name	3-(2-fluoroethoxy)propanenitrile
Molecular Formula	C5H8FNO
Molecular Weight	117.12
XLogP	0.1
Topological Polar Surface Area	33
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	8
Formal Charge	0
Complexity	85

SMILES

C(COCCF)C#N

InChI

InChI=1S/C5H8FNO/c6-2-5-8-4-1-3-7/h1-2,4-5H2

InChIKey

NTBYEBVGKXKYSB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 353-18-4

CID: 67706

Formula: C5H8FNO

MW: 117.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	117.12
XLogP3	0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	117.058992041
Monoisotopic Mass	117.058992041
Topological Polar Surface Area	33 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	85.7
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
BAA76482-01	3- (2-Fluoroethoxy) aniline
QEC93911-01	3- (2-Fluoroethoxy) benzoic acid
BGC42582-01	3- (2-Fluoroethoxy) azetidine trifluoroacetate
UYB97995-01	3- (2-Fluoroethoxy) pyrrolidine hydrochloride
BAA54711	2- (2-Fluoroethoxy) aniline
ICA93628-01	3- (2-Methylpropoxy) propanenitrile
ABA31030-01	2- (3-Methoxyphenyl) propanenitrile
VCA78642-01	3- (2-Methoxyphenoxy) propanenitrile
ABA26805-01	3- (2-Methylphenoxy) propanenitrile
EAA59477-01	3- (2-Oxocyclopentyl) propanenitrile

Catalog	Name
OR470798	2- (Phenylamino) propanenitrile
sc-320402A	2- (2-Bromophenyl) propanenitrile
OR950184	2- (2-Methylphenyl) propanenitrile
OR900475-01	3- (2-Methylpropoxy) propanenitrile
OR24136-01	3- (2-oxocyclohexyl) propanenitrile
OR1040172-01	2- (2,6-Dichlorophenoxy) propanenitrile
OR303950-01	2-Methyl-2- (phenylamino) propanenitrile
OR310001	2-Methyl-2- (propylamino) propanenitrile
sc-275008	2-methyl-2- (methylamino) propanenitrile
JH525539	3- (2-fluorophenyl) propanenitrile