2-(difluoromethyl)-6-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)pyrazine

C15H12F2N2O — CID 166906093

IUPAC2-(difluoromethyl)-6-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)pyrazine
SMILESC=C1OCc2c1ccc(-c1cncc(C(F)F)n1)c2C
InChIInChI=1S/C15H12F2N2O/c1-8-10(3-4-11-9(2)20-7-12(8)11)13-5-18-6-14(19-13)15(16)17/h3-6,15H,2,7H2,1H3
InChIKeyYWWLTCXCVRFUIM-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.89
Rot. Bonds2

About 2-(difluoromethyl)-6-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)pyrazine

2-(difluoromethyl)-6-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)pyrazine (PubChem CID 166906093) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)pyrazine.

Molecular Properties

Compound Name2-(difluoromethyl)-6-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)pyrazine
PubChem CID166906093
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC Name2-(difluoromethyl)-6-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)pyrazine
SMILESC=C1OCc2c1ccc(-c1cncc(C(F)F)n1)c2C
InChIInChI=1S/C15H12F2N2O/c1-8-10(3-4-11-9(2)20-7-12(8)11)13-5-18-6-14(19-13)15(16)17/h3-6,15H,2,7H2,1H3
InChIKeyYWWLTCXCVRFUIM-UHFFFAOYSA-N
XLogP3.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)pyrazine?
The IUPAC name of 2-(difluoromethyl)-6-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)pyrazine (CID 166906093) is 2-(difluoromethyl)-6-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)pyrazine.
What is the SMILES notation for 2-(difluoromethyl)-6-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)pyrazine?
The canonical SMILES for 2-(difluoromethyl)-6-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)pyrazine is C=C1OCc2c1ccc(-c1cncc(C(F)F)n1)c2C.
What is the InChIKey of 2-(difluoromethyl)-6-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)pyrazine?
The InChIKey is YWWLTCXCVRFUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O/c1-8-10(3-4-11-9(2)20-7-12(8)11)13-5-18-6-14(19-13)15(16)17/h3-6,15H,2,7H2,1H3.
What are the key properties of 2-(difluoromethyl)-6-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)pyrazine?
2-(difluoromethyl)-6-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)pyrazine has a molecular weight of 274.27 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-(4-methyl-1-methylidene-3H-2-benzofuran-5-yl)pyrazine is sourced from PubChem (CID 166906093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).