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

Name: 3,3-Difluoropyrrolidine hydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

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Related Functional Groups

Fluorinated Building Blocks

[1427357-61-6]C6H4FN3
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[1820736-42-2]C11H11ClF3N3
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[151585-93-2]C7H6FNO
2-Amino-6-fluorobenzaldehyde

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[451-46-7]C9H9FO2
Ethyl 4-fluorobenzoate
[207605-39-8]C8H2F5NO2
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene
[860790-29-0]C11H15F3N4
N-[4-Cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine
[67490-21-5]C16H28N2
2,4,6-Tri-tert-butylpyrimidine

Pyrrolidines

[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1096881-75-2]C17H17NO
1-Benzhydryl-3-pyrrolidinone
[1627185-88-9]C10H20N2O3
tert-Butyl ((3S,4S)-4-methoxypyrrolidin-3-yl)carbamate
[1319738-39-0]C23H25N3O5
(R)-4-((R)-1-((7-(3,4,5-Trimethoxyphenyl)-1,6-naphthyridin-5-yl)oxy)ethyl)pyrrolidin-2-one
[54716-02-8]C10H17NO2
Ethyl (E)-3-(1-pyrrolidinyl)crotonate
[36821-26-8]C7H11NO3
Ethyl 2-oxopyrrolidine-3-carboxylate

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

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

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