(±)-2-(Trifluoromethyl)pyrrolidine hydrochloride - CAS 868623-97-6

Catalog:	BB038097
Product Name:	(±)-2-(Trifluoromethyl)pyrrolidine hydrochloride
CAS:	868623-97-6
Synonyms:	2-(trifluoromethyl)pyrrolidine;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(trifluoromethyl)pyrrolidine;hydrochloride
Description:	(±)-2-(Trifluoromethyl)pyrrolidine hydrochloride (CAS# 868623-97-6) is a useful research chemical.
Molecular Weight:	175.58
Molecular Formula:	C5H8F3N · HCl
Canonical SMILES:	C1CC(NC1)C(F)(F)F.Cl
InChI:	InChI=1S/C5H8F3N.ClH/c6-5(7,8)4-2-1-3-9-4;/h4,9H,1-3H2;1H
InChI Key:	UAKBWWZKKFYLRW-UHFFFAOYSA-N
Boiling Point:	141.1 °C at 760 mmHg
Purity:	95 %
MDL:	MFCD11975306
LogP:	2.43150

Publication Number	Title	Priority Date
US-2020102288-A1	Wdr5 inhibitors and modulators	20180614
US-10844044-B2	WDR5 inhibitors and modulators	20180614
EP-3193880-A1	Inhibiting the transient receptor potential a1 ion channel	20140919
EP-3193880-B1	Inhibiting the transient receptor potential a1 ion channel	20140919
US-10221177-B2	Inhibiting the transient receptor potential A1 ion channel	20140919

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Related Functional Groups

Piperidines

[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[13617-02-2]
3-Bromo-1-methylpiperidine Hydrobromide
[874800-64-3]
1-(4-Chloro-2-nitrophenyl)piperidine-4-carboxylic acid
[1624301-71-8]
tert-Butyl 3,3-bis(hydroxymethyl)piperidine-1-carboxylate
[758720-54-6]
1-(3-Nitropyridin-2-yl)piperidine-4-carboxylic acid
[1006349-05-8]
Ethyl 1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylate

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	98.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.0375615
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	175.0375615
Rotatable Bond Count:	0
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0