3-(Trifluoromethyl)butyric Acid - CAS 348-75-4

Catalog:	BB022343
Product Name:	3-(Trifluoromethyl)butyric Acid
CAS:	348-75-4
Synonyms:	4,4,4-trifluoro-3-methylbutanoic acid; 4,4,4-trifluoro-3-methylbutanoic acid

Technical Data

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Computed Properties

IUPAC Name:	4,4,4-trifluoro-3-methylbutanoic acid
Description:	3-(Trifluoromethyl)butyric Acid (CAS# 348-75-4) is a useful research chemical.
Molecular Weight:	156.10
Molecular Formula:	C5H7F3O2
Canonical SMILES:	CC(CC(=O)O)C(F)(F)F
InChI:	InChI=1S/C5H7F3O2/c1-3(2-4(9)10)5(6,7)8/h3H,2H2,1H3,(H,9,10)
InChI Key:	FFZMMBKGTNDVRX-UHFFFAOYSA-N
Boiling Point:	161.7 °C at 760 mmHg
MDL:	MFCD00039533
LogP:	1.65950

Publication Number	Title	Priority Date
US-2015353477-A1	Pesticidal compositions and processes related thereto	20140609
WO-2015191430-A1	Pesticidal compositions and processes related thereto	20140609
US-2013210806-A1	Tricyclic indole derivatives useful endothelial lipase inhibitors	20120215
US-9216998-B2	Tricyclic indole derivatives useful endothelial lipase inhibitors	20120215
EP-2697191-A1	Branched 3-phenylpropionic acid derivatives and the use thereof	20110413

PMID	Publication Date	Title	Journal
19537688	20090807	Oxazoline-oxazinone oxidative rearrangement. divergent syntheses of (2S,3S)-4,4,4-trifluorovaline and (2S,4S)-5,5,5-Trifluoroleucine	The Journal of organic chemistry

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.03981395
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	156.03981395
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6