3-(Trifluoromethyl)azetidin-3-ol Hydrochloride - CAS 848192-96-1

Catalog:	BB037323
Product Name:	3-(Trifluoromethyl)azetidin-3-ol Hydrochloride
CAS:	848192-96-1
Synonyms:	3-(trifluoromethyl)-3-azetidinol;hydrochloride; 3-(trifluoromethyl)azetidin-3-ol;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	3-(trifluoromethyl)azetidin-3-ol;hydrochloride
Description:	3-(Trifluoromethyl)azetidin-3-ol Hydrochloride (CAS# 848192-96-1) is used for benzoxaborole antimalarial agent.
Molecular Weight:	177.55
Molecular Formula:	C4H7ClF3NO
Canonical SMILES:	C1C(CN1)(C(F)(F)F)O.Cl
InChI:	InChI=1S/C4H6F3NO.ClH/c5-4(6,7)3(9)1-8-2-3;/h8-9H,1-2H2;1H
InChI Key:	BWGPIPWVIWINLD-UHFFFAOYSA-N
Appearance:	White to yellow solid
LogP:	1.01380

Publication Number	Title	Priority Date
WO-2020004521-A1	Therapeutic agent for inflammatory diseases, autoimmune diseases, fibrotic diseases, and cancer diseases	20180627
CN-112312914-A	Therapeutic agent for inflammatory disease, autoimmune disease, fibrotic disease, and cancer disease	20180627
EP-3815687-A1	Therapeutic agent for inflammatory diseases, autoimmune diseases, fibrotic diseases, and cancer diseases	20180627
JP-6815566-B2	Therapeutic agents for inflammatory, autoimmune, fibrotic, and cancerous diseases	20180627
JP-WO2020004521-A1	Therapeutic agents for inflammatory, autoimmune, fibrotic, and cancerous diseases	20180627

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	118
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.0168260
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	177.0168260
Rotatable Bond Count:	0
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0