2-(2,2,2-Trifluoroethoxy)propionic Acid - CAS 217806-37-6

Catalog:	BB017146
Product Name:	2-(2,2,2-Trifluoroethoxy)propionic Acid
CAS:	217806-37-6
Synonyms:	2-(2,2,2-trifluoroethoxy)propanoic acid; 2-(2,2,2-trifluoroethoxy)propanoic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(2,2,2-trifluoroethoxy)propanoic acid
Description:	2-(2,2,2-Trifluoroethoxy)propionic Acid (CAS# 217806-37-6) is a useful research chemical.
Molecular Weight:	172.10
Molecular Formula:	C5H7F3O3
Canonical SMILES:	CC(C(=O)O)OCC(F)(F)F
InChI:	InChI=1S/C5H7F3O3/c1-3(4(9)10)11-2-5(6,7)8/h3H,2H2,1H3,(H,9,10)
InChI Key:	WLVIHEZFLDLAON-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2020153433-A1	Substituent-including urea compound	20190124
TW-202043239-A	Urea compounds with substituents	20190124
CN-113382767-A	Substituted urea compounds	20190124
DK-3004079-T3	Pyrimide compounds and their use as gamma secretase modulators	20130604
EP-3004079-A1	Pyrimidine compounds and their use as gamma secretase modulators	20130604

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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, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.03472857
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	172.03472857
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2