2-(Trifluoromethyl)piperidine hydrochloride - CAS 627533-08-8

Catalog:	BB031781
Product Name:	2-(Trifluoromethyl)piperidine hydrochloride
CAS:	627533-08-8
Synonyms:	2-(trifluoromethyl)piperidine;hydrochloride

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Computed Properties

IUPAC Name:	2-(trifluoromethyl)piperidine;hydrochloride
Description:	2-(Trifluoromethyl)piperidine hydrochloride (CAS# 627533-08-8 ) is a useful research chemical.
Molecular Weight:	189.61
Molecular Formula:	C6H10F3N · HCl
Canonical SMILES:	C1CCNC(C1)C(F)(F)F.Cl
InChI:	InChI=1S/C6H10F3N.ClH/c7-6(8,9)5-3-1-2-4-10-5;/h5,10H,1-4H2;1H
InChI Key:	LUBQESPBTCELOM-UHFFFAOYSA-N
MDL:	MFCD14584429
LogP:	2.82160

Publication Number	Title	Priority Date
WO-2020027723-A1	Bicyclic compounds as kinase modulators, methods and uses thereof	20180801
US-2021309668-A1	Bicyclic compounds as kinase modulators, methods and uses thereof	20180801
EP-2276731-A1	2-sulfonylamino-4-heteroaryl butyramide antagonists of ccr10	20080409
WO-2009126675-A1	2-sulfonylamino-4-heteroaryl butyramide antagonists of ccr10	20080409
EP-2016047-A1	Biphenyl amide lactam derivatives as inhibitors of 11- beta-hydroxysteroid dehydrogenase 1	20060421

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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:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.0532115
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	189.0532115
Rotatable Bond Count:	0
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0