2-(difluoromethoxy)-N-(pyrazin-2-ylmethyl)aniline

C12H11F2N3O — CID 55109592

IUPAC2-(difluoromethoxy)-N-(pyrazin-2-ylmethyl)aniline
SMILESFC(F)Oc1ccccc1NCc1cnccn1
InChIInChI=1S/C12H11F2N3O/c13-12(14)18-11-4-2-1-3-10(11)17-8-9-7-15-5-6-16-9/h1-7,12,17H,8H2
InChIKeyDYGNEJVNLRNCOI-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.69
Rot. Bonds5

About 2-(difluoromethoxy)-N-(pyrazin-2-ylmethyl)aniline

2-(difluoromethoxy)-N-(pyrazin-2-ylmethyl)aniline (PubChem CID 55109592) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-(pyrazin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-(pyrazin-2-ylmethyl)aniline
PubChem CID55109592
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-(difluoromethoxy)-N-(pyrazin-2-ylmethyl)aniline
SMILESFC(F)Oc1ccccc1NCc1cnccn1
InChIInChI=1S/C12H11F2N3O/c13-12(14)18-11-4-2-1-3-10(11)17-8-9-7-15-5-6-16-9/h1-7,12,17H,8H2
InChIKeyDYGNEJVNLRNCOI-UHFFFAOYSA-N
XLogP2.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-(pyrazin-2-ylmethyl)aniline?
The IUPAC name of 2-(difluoromethoxy)-N-(pyrazin-2-ylmethyl)aniline (CID 55109592) is 2-(difluoromethoxy)-N-(pyrazin-2-ylmethyl)aniline.
What is the SMILES notation for 2-(difluoromethoxy)-N-(pyrazin-2-ylmethyl)aniline?
The canonical SMILES for 2-(difluoromethoxy)-N-(pyrazin-2-ylmethyl)aniline is FC(F)Oc1ccccc1NCc1cnccn1.
What is the InChIKey of 2-(difluoromethoxy)-N-(pyrazin-2-ylmethyl)aniline?
The InChIKey is DYGNEJVNLRNCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c13-12(14)18-11-4-2-1-3-10(11)17-8-9-7-15-5-6-16-9/h1-7,12,17H,8H2.
What are the key properties of 2-(difluoromethoxy)-N-(pyrazin-2-ylmethyl)aniline?
2-(difluoromethoxy)-N-(pyrazin-2-ylmethyl)aniline has a molecular weight of 251.24 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-(pyrazin-2-ylmethyl)aniline is sourced from PubChem (CID 55109592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).