3,3-Difluoropyrrolidine hydrochloride - CAS 163457-23-6

Catalog:	BB012003
Product Name:	3,3-Difluoropyrrolidine hydrochloride
CAS:	163457-23-6
Synonyms:	3,3-difluoropyrrolidine;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3,3-difluoropyrrolidine;hydrochloride
Description:	3,3-Difluoropyrrolidine hydrochloride (CAS# 163457-23-6) is a compound useful in organic synthesis.
Molecular Weight:	143.56
Molecular Formula:	C4H7F2N · HCl
Canonical SMILES:	C1CNCC1(F)F.Cl
InChI:	InChI=1S/C4H7F2N.ClH/c5-4(6)1-2-7-3-4;/h7H,1-3H2;1H
InChI Key:	YYVPZQADFREIFR-UHFFFAOYSA-N
Boiling Point:	84.4 °C at 760 mmHg
Purity:	97.0 %
Appearance:	Solid
MDL:	MFCD03788948
LogP:	1.74580

Publication Number	Title	Priority Date
US-2016237090-A1	Novel pyrazine compounds for the treatment of infectious diseases	20150116
US-2016075720-A1	Mk2 inhibitors and uses thereof	20140917
US-2016016951-A1	Novel naphthyridines and isoquinolines and their use as cdk8/19 inhibitors	20140717
US-2016009744-A1	Heteroaryl compounds useful as inhibitors of sumo activating enzyme	20140701
US-2016168158-A1	Novel triazolo[4,5-d]pyrimidine derivatives	20130906

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	72.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.0313333
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	143.0313333
Rotatable Bond Count:	0
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0