1- (2,4-Difluorophenyl) ethanamine

CAT: 0127-PC530059-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC530059-01Size:250 mg

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CAS Number

603951-43-5

MDL Number

MFCD04116332

Purity

95%

Smiles

CC(N)c1ccc(F)cc1F

Chemical Information

1-(2,4-Difluorophenyl)ethanamine

CAS Number	603951-43-5
PubChem CID	4986250
IUPAC Name	1-(2,4-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	1
Heavy Atom Count	11
Formal Charge	0
Complexity	129

SMILES

CC(C1=C(C=C(C=C1)F)F)N

InChI

InChI=1S/C8H9F2N/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5H,11H2,1H3

InChIKey

VBPKWFKAYDHOQW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 603951-43-5

CID: 4986250

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	1
Exact Mass	157.07030562
Monoisotopic Mass	157.07030562
Topological Polar Surface Area	26 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	129
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
PC1003509-01	1- (4-Bromo-2,6-difluorophenyl) ethanamine
PC1004313-01	1- (3,4-Difluorophenyl) ethanamine hydrochloride
PC201230-01	(R) -1- (3,4-Difluorophenyl) ethanamine
PC101109-01	(S) -1- (3,4-Difluorophenyl) ethanamine
PC1007314-01	(R) -1- (4-Bromo-2,6-difluorophenyl) ethanamine
PC400039	1- (2-Bromo-3,4-difluorophenyl) ethanamine hydrochloride
PC100493	1- (2,6-Difluorophenyl) ethanamine hydrochloride
PC102731-01	(S) -1- (2,3-Difluorophenyl) ethanamine
PC102258-01	(R) -1- (2,6-Difluorophenyl) ethanamine
PC102006-01	1- (2,3-Difluorophenyl) ethanamine hydrochloride

Catalog	Name
AL BW 0284-01	2- (2,4-difluorophenyl) ethanamine
FD97834-01	2- (3,4-Difluorophenyl) ethanamine
TRC-D451245-500MG	2-(3,4-Difluorophenyl)ethanamine
sc-334398	(1S) -1- (2,4-difluorophenyl) ethanamine
sc-339253A	(1R) -1- (2,4-difluorophenyl) ethanamine
463638-01	(R) -1- (2,4-Difluorophenyl) ethanamine
JH198263	2- (2,5-Difluorophenyl) ethanamine
AL BW 0286-01	2- (2,6-difluorophenyl) ethanamine
AL BW 0664-01	2- (2,3-difluorophenyl) ethanamine
sc-272973	1- (3,4-difluorophenyl) ethanamine