2-Fluoro-3-methylbutyric Acid - CAS 1578-62-7

Catalog:	BB011361
Product Name:	2-Fluoro-3-methylbutyric Acid
CAS:	1578-62-7
Synonyms:	2-fluoro-3-methylbutanoic acid; 2-fluoro-3-methylbutanoic acid

Technical Data

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Computed Properties

IUPAC Name:	2-fluoro-3-methylbutanoic acid
Description:	2-Fluoro-3-methylbutyric Acid (CAS# 1578-62-7) is a useful research chemical.
Molecular Weight:	120.12
Molecular Formula:	C5H9FO2
Canonical SMILES:	CC(C)C(C(=O)O)F
InChI:	InChI=1S/C5H9FO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)
InChI Key:	DPPSUGSPUHMWEH-UHFFFAOYSA-N
Boiling Point:	182 °C at 760 mmHg
Density:	1.073 g/cm³
LogP:	1.06510

Publication Number	Title	Priority Date
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
US-2013281324-A1	Bi-functinal complexes and methods for making and using such complexes	20100416
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	20100416
EP-2178844-A1	Azepine derivatives as gamma-secretase inhibitors	20070814
US-2010197660-A1	Azepine derivatives as gamma-secretase inhibitors	20070814

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	90.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	120.05865769
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	120.05865769
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5