(R)-4,4,4-Trifluoro-3-hydroxybutanoic Acid - CAS 108211-36-5

Catalog:	BB002202
Product Name:	(R)-4,4,4-Trifluoro-3-hydroxybutanoic Acid
CAS:	108211-36-5
Synonyms:	(3R)-4,4,4-trifluoro-3-hydroxybutanoic acid; (3R)-4,4,4-trifluoro-3-hydroxybutanoic acid

Technical Data

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Computed Properties

IUPAC Name:	(3R)-4,4,4-trifluoro-3-hydroxybutanoic acid
Description:	(R)-4,4,4-Trifluoro-3-hydroxybutanoic Acid (CAS# 108211-36-5) is a useful research chemical.
Molecular Weight:	158.08
Molecular Formula:	C4H5F3O3
Canonical SMILES:	C(C(C(F)(F)F)O)C(=O)O
InChI:	InChI=1S/C4H5F3O3/c5-4(6,7)2(8)1-3(9)10/h2,8H,1H2,(H,9,10)/t2-/m1/s1
InChI Key:	ASQMUMZEQLWJRC-UWTATZPHSA-N
Boiling Point:	224.2 °C at 760 mmHg
Density:	1.289 g/cm³
LogP:	0.38430

Publication Number	Title	Priority Date
WO-2020222010-A1	Itaconic acid derivatives and uses thereof in treating an inflammatory disease or a disease associated with an undesirable immune response	20190430
WO-2020222011-A1	Itaconic acid derivatives and uses thereof in treating an inflammatory disease or a disease associated with an undesirable immune response	20190430
AU-2014298017-A1	Heterobicycloaryl RORc2 inhibitors and methods of use thereof	20130802
AU-2014298017-B2	Heterobicycloaryl RORC2 inhibitors and methods of use thereof	20130802
CA-2919783-A1	Heterobicycloaryl rorc2 inhibitors and methods of use thereof	20130802

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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, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	158.01907850
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	158.01907850
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2