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 |
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 |
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 |
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 |
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 |
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