(1R,2R)-2-(3,4-Difluorophenyl)cyclopropanecarboxamide - CAS 1006376-62-0

Catalog:	BB067728
Product Name:	(1R,2R)-2-(3,4-Difluorophenyl)cyclopropanecarboxamide
CAS:	1006376-62-0
Synonyms:	(1R,2R)-2-(3,4-Difluorophenyl)cyclopropanecarboxamide; (1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide; Rel-(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide; (1R,2R)-2-(3,4-difluorophenyl)cyclopropane carboxamide

Technical Data

IUPAC Name:	(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
Description:	(1R,2R)-2-(3,4-Difluorophenyl)cyclopropanecarboxamide is a part of the synthetic preparation of the synthesis and inhibitory effect on ADP-induced platelet aggregation of ticagrelor derivatives as antiplatelets agents.
Molecular Weight:	197.18
Molecular Formula:	C10H9F2NO
Canonical SMILES:	C1C(C1C(=O)N)C2=CC(=C(C=C2)F)F
InChI:	InChI=1S/C10H9F2NO/c11-8-2-1-5(3-9(8)12)6-4-7(6)10(13)14/h1-3,6-7H,4H2,(H2,13,14)/t6-,7+/m0/s1
InChI Key:	PYEJQVYISBUGDU-NKWVEPMBSA-N
Melting Point:	145 - 147°C
Solubility:	DMSO (Slightly), Methanol (Slightly)
Appearance:	White to Off-White Solid
Storage:	Hygroscopic, -20°C Freezer, Under inert atmosphere
References:	Zhang, H., et al. Bioorganic Med. Chem. Lett., 22, 3598 (2012)..

Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	197.06522023
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	197.06522023
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2