1-benzyl-2-fluoropyrazin-1-ium

C11H10FN2+ — CID 139735554

IUPAC1-benzyl-2-fluoropyrazin-1-ium
SMILESFc1cncc[n+]1Cc1ccccc1
InChIInChI=1S/C11H10FN2/c12-11-8-13-6-7-14(11)9-10-4-2-1-3-5-10/h1-8H,9H2/q+1
InChIKeyUJRQDZRIPRKJDA-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.56
Rot. Bonds2

About 1-benzyl-2-fluoropyrazin-1-ium

1-benzyl-2-fluoropyrazin-1-ium (PubChem CID 139735554) has the molecular formula C11H10FN2+ and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-benzyl-2-fluoropyrazin-1-ium.

Molecular Properties

Compound Name1-benzyl-2-fluoropyrazin-1-ium
PubChem CID139735554
Molecular FormulaC11H10FN2+
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-benzyl-2-fluoropyrazin-1-ium
SMILESFc1cncc[n+]1Cc1ccccc1
InChIInChI=1S/C11H10FN2/c12-11-8-13-6-7-14(11)9-10-4-2-1-3-5-10/h1-8H,9H2/q+1
InChIKeyUJRQDZRIPRKJDA-UHFFFAOYSA-N
XLogP1.56
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-fluoropyrazin-1-ium?
The IUPAC name of 1-benzyl-2-fluoropyrazin-1-ium (CID 139735554) is 1-benzyl-2-fluoropyrazin-1-ium.
What is the SMILES notation for 1-benzyl-2-fluoropyrazin-1-ium?
The canonical SMILES for 1-benzyl-2-fluoropyrazin-1-ium is Fc1cncc[n+]1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-fluoropyrazin-1-ium?
The InChIKey is UJRQDZRIPRKJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN2/c12-11-8-13-6-7-14(11)9-10-4-2-1-3-5-10/h1-8H,9H2/q+1.
What are the key properties of 1-benzyl-2-fluoropyrazin-1-ium?
1-benzyl-2-fluoropyrazin-1-ium has a molecular weight of 189.21 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-fluoropyrazin-1-ium is sourced from PubChem (CID 139735554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).