2-(3,4-difluorophenyl)-2-pyrazin-2-ylethanamine

C12H11F2N3 — CID 116833741

IUPAC2-(3,4-difluorophenyl)-2-pyrazin-2-ylethanamine
SMILESNCC(c1ccc(F)c(F)c1)c1cnccn1
InChIInChI=1S/C12H11F2N3/c13-10-2-1-8(5-11(10)14)9(6-15)12-7-16-3-4-17-12/h1-5,7,9H,6,15H2
InChIKeyDWOXWBDJZJUREA-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.85
Rot. Bonds3

About 2-(3,4-difluorophenyl)-2-pyrazin-2-ylethanamine

2-(3,4-difluorophenyl)-2-pyrazin-2-ylethanamine (PubChem CID 116833741) has the molecular formula C12H11F2N3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-pyrazin-2-ylethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-pyrazin-2-ylethanamine
PubChem CID116833741
Molecular FormulaC12H11F2N3
Molecular Weight235.24 g/mol
Exact Mass235.09
IUPAC Name2-(3,4-difluorophenyl)-2-pyrazin-2-ylethanamine
SMILESNCC(c1ccc(F)c(F)c1)c1cnccn1
InChIInChI=1S/C12H11F2N3/c13-10-2-1-8(5-11(10)14)9(6-15)12-7-16-3-4-17-12/h1-5,7,9H,6,15H2
InChIKeyDWOXWBDJZJUREA-UHFFFAOYSA-N
XLogP1.85
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-difluorophenyl)-2-pyrazin-2-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-pyrazin-2-ylethanamine?
The IUPAC name of 2-(3,4-difluorophenyl)-2-pyrazin-2-ylethanamine (CID 116833741) is 2-(3,4-difluorophenyl)-2-pyrazin-2-ylethanamine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-pyrazin-2-ylethanamine?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-pyrazin-2-ylethanamine is NCC(c1ccc(F)c(F)c1)c1cnccn1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-pyrazin-2-ylethanamine?
The InChIKey is DWOXWBDJZJUREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3/c13-10-2-1-8(5-11(10)14)9(6-15)12-7-16-3-4-17-12/h1-5,7,9H,6,15H2.
What are the key properties of 2-(3,4-difluorophenyl)-2-pyrazin-2-ylethanamine?
2-(3,4-difluorophenyl)-2-pyrazin-2-ylethanamine has a molecular weight of 235.24 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-pyrazin-2-ylethanamine is sourced from PubChem (CID 116833741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).