2- (2,5-Difluorophenyl) ethylamine

CAT: 0926-FD80615-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-FD80615-01Size:50 mg

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CAS Number

199296-54-3

MDL Number

MFCD01529879

Smiles

C1=CC (=C (C=C1F) CCN) F

Molecular Formula

C8H9F2N

Molecular Weight

157.16 g/mol

Controlled

Yes

Chemical Information

2-(2,5-Difluorophenyl)ethanamine

CAS Number	199296-54-3
PubChem CID	5003428
IUPAC Name	2-(2,5-difluorophenyl)ethanamine
Molecular Formula	C8H9F2N
Molecular Weight	157.16
XLogP	1.4
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	119

SMILES

C1=CC(=C(C=C1F)CCN)F

InChI

InChI=1S/C8H9F2N/c9-7-1-2-8(10)6(5-7)3-4-11/h1-2,5H,3-4,11H2

InChIKey

DLRBTZWRKKEPKT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 199296-54-3

CID: 5003428

Formula: C8H9F2N

MW: 157.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	157.16
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	157.07030562
Monoisotopic Mass	157.07030562
Topological Polar Surface Area	26 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	119
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
FD80681-01	2- (3,5-Difluorophenyl) ethylamine
FD80543-01	2- (2,4-Difluorophenyl) ethylamine
VJB84940	1- (2,6-Difluorophenyl) ethylamine
MJB25556	2- (2,5-Difluorophenyl) ethanol
DXC59474-01	2- (2,5-Difluorophenyl) propanedinitrile
FWB08223-01	2- (2,5-Difluorophenyl) -2-hydroxyacetonitrile
NAA20354-01	2-Indan-5-yl-ethylamine
WFA53500-01	2- (3,5-Difluorophenyl) -2-oxoacetaldehyde
CWB70807-01	(2-Chlorophenyl) (2,5-difluorophenyl) methanone
SGA48438-01	Methyl 2- (2,5-difluorophenyl) acetate

Catalog	Name
PC103257-01	1- (2,5-Difluorophenyl) ethylamine
sc-281834	1- (3,5-Difluorophenyl) ethylamine
TRC-D445865-100MG	1-(2’,4’-Difluorophenyl)ethylamine
sc-206097	1- (2',4'-Difluorophenyl) ethylamine
PC510195-01	1- (2,6-Difluorophenyl) ethylamine
PC450101	(S) -1- (3,5-Difluorophenyl) ethylamine
PC49497	(1R) -1- (3,5-Difluorophenyl) ethylamine
PC56178-01	(R) -1- (2, 4-Difluorophenyl) ethylamine
PC56179-01	(S) -1- (2, 4-Difluorophenyl) ethylamine
PC48537-01	(1S) -1- (3,5-Difluorophenyl) ethylamine hydrochloride