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4,4,4-Trifluoro-3-(trifluoromethyl)butyric Acid

4,4,4-Trifluoro-3-(trifluoromethyl)butyric Acid - CAS 17327-33-2

Catalog:	BB012907
Product Name:	4,4,4-Trifluoro-3-(trifluoromethyl)butyric Acid
CAS:	17327-33-2
Synonyms:	4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid; 4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid
Description:	4,4,4-Trifluoro-3-(trifluoromethyl)butyric Acid (CAS# 17327-33-2) is used to prepare fluorinated analog of leucine.
Molecular Weight:	210.07
Molecular Formula:	C5H4F6O2
Canonical SMILES:	C(C(C(F)(F)F)C(F)(F)F)C(=O)O
InChI:	InChI=1S/C5H4F6O2/c6-4(7,8)2(1-3(12)13)5(9,10)11/h2H,1H2,(H,12,13)
InChI Key:	BXOJQJKUSQRUKV-UHFFFAOYSA-N
Boiling Point:	138.8 °C at 760 mmHg
Density:	1.512 g/cm³
MDL:	MFCD00236630
LogP:	2.20190

Publication Number	Title	Priority Date
US-2014163001-A1	Heterocyclic compound	20110729
US-9156837-B2	Heterocyclic compound	20110729
WO-2011146401-A1	Novel inhibitors of hepatitis c virus replication	20100517
WO-2009029592-A1	Heterobicyclic-substituted quinolones useful as nitric oxide synthase inhibitors	20070827
EP-2148869-A1	Pyrimidinone derivatives and methods of use thereof	20070420

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	178
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.01154834
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	210.01154834
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2