4,4-Difluoro-L-prolinamide - CAS 719267-96-6

Catalog:	BB067434
Product Name:	4,4-Difluoro-L-prolinamide
CAS:	719267-96-6
Synonyms:	(2S)-2-Aminocarbonyl-4,4-difluoropyrrolidine; (2S)-4,4-Difluoro-2-pyrrolidinecarboxamide; (S)-4,4-Difluoropyrrolidine-2-carboxamide

Technical Data

Computed Properties

IUPAC Name:	(2S)-4,4-difluoropyrrolidine-2-carboxamide
Description:	4,4-Difluoro-L-prolinamide is used in the synthesis of a series of 2-cyanopyrrolidines, which are the most potent of Dipeptidyl peptidase IV (DPP-IV) inhibitors.
Molecular Weight:	150.13
Molecular Formula:	C5H8F2N2O
Canonical SMILES:	C1C(NCC1(F)F)C(=O)N
InChI:	InChI=1S/C5H8F2N2O/c6-5(7)1-3(4(8)10)9-2-5/h3,9H,1-2H2,(H2,8,10)/t3-/m0/s1
InChI Key:	MVEDZPQIZLYLLT-VKHMYHEASA-N
References:	Fukushima, H., et al. Bioorg. Med. Chem., 12, 6053-6061 (2004).

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Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	150.06046921
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	150.06046921
Rotatable Bond Count:	1
Topological Polar Surface Area:	55.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4