2-(2,2,2-Trifluoroethoxy)ethanol - CAS 2358-54-5

Catalog:	BB018103
Product Name:	2-(2,2,2-Trifluoroethoxy)ethanol
CAS:	2358-54-5
Synonyms:	2-(2,2,2-trifluoroethoxy)ethanol; 2-(2,2,2-trifluoroethoxy)ethanol

Technical Data

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Computed Properties

IUPAC Name:	2-(2,2,2-trifluoroethoxy)ethanol
Description:	2-(2,2,2-Trifluoroethoxy)ethanol (CAS# 2358-54-5) is a useful research chemical.
Molecular Weight:	144.09
Molecular Formula:	C4H7F3O2
Canonical SMILES:	C(COCC(F)(F)F)O
InChI:	InChI=1S/C4H7F3O2/c5-4(6,7)3-9-2-1-8/h8H,1-3H2
InChI Key:	HRBLSBRWIWIOGW-UHFFFAOYSA-N
Boiling Point:	84 °C / 80 mmHg
Density:	1.254 g/cm³
Appearance:	Liquid
MDL:	MFCD00462508
LogP:	0.55760

Publication Number	Title	Priority Date
WO-2021176366-A1	Inhibitors of human immunodeficiency virus replication	20200306
US-2021186935-A1	Rapamycin analogs and uses thereof	20191205
WO-2021113665-A1	Rapamycin analogs and uses thereof	20191205
WO-2020167994-A1	Compounds, compositions and methods	20190213
WO-2020168011-A1	Compounds, compositions and methods	20190213

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GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	70.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.03981395
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	144.03981395
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5