2-(1,1-Difluoroethyl)pyrazine - CAS 111781-49-8

Catalog:	BB002805
Product Name:	2-(1,1-Difluoroethyl)pyrazine
CAS:	111781-49-8
Synonyms:	2-(1,1-difluoroethyl)pyrazine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(1,1-difluoroethyl)pyrazine
Description:	2-(1,1-Difluoroethyl)pyrazine (CAS# 111781-49-8) is a useful research chemical.
Molecular Weight:	144.12
Molecular Formula:	C6H6F2N2
Canonical SMILES:	CC(C1=NC=CN=C1)(F)F
InChI:	InChI=1S/C6H6F2N2/c1-6(7,8)5-4-9-2-3-10-5/h2-4H,1H3
InChI Key:	OXKFWGSACYGCSY-UHFFFAOYSA-N
MDL:	MFCD12546932
LogP:	1.58830

Publication Number	Title	Priority Date
WO-2015028630-A1	N-substituted pyridylidene compounds and derivatives for combating animal pests	20130830
KR-20160030403-A	Therapeutically active compounds and their methods of use	20130711
CN-104470915-B	Two fluoro- hexahydros-cyclopenta oxazines base class and two fluoro- hexahydros-benzoxazine base class as BACE1 inhibitor	20120626
EP-2864324-A1	Difluoro-hexahydro-cyclopentaoxazinyls and difluoro-hexahydro-benzooxazinyls as bace1 inhibitors	20120626
WO-2014001228-A1	Difluoro-hexahydro-cyclopentaoxazinyls and difluoro-hexahydro-benzooxazinyls as bace1 inhibitors	20120626

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Related Functional Groups

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[860790-29-0]
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Pyrazines

[56423-63-3]
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[4949-13-7]
Fluoropyrazine
[273-94-9]
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[94777-52-3]
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[109838-85-9]
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[3149-28-8]
2-Methoxypyrazine

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (97.44%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P405, and P501
Signal Word:	Danger

Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.04990452
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	144.04990452
Rotatable Bond Count:	1
Topological Polar Surface Area:	25.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6