2-(4-fluorophenyl)-5-hexoxypyrazine

C16H19FN2O — CID 14122081

IUPAC2-(4-fluorophenyl)-5-hexoxypyrazine
SMILESCCCCCCOc1cnc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C16H19FN2O/c1-2-3-4-5-10-20-16-12-18-15(11-19-16)13-6-8-14(17)9-7-13/h6-9,11-12H,2-5,10H2,1H3
InChIKeyNBCLZOGDWIAMPG-UHFFFAOYSA-N
MW274.34 g/mol
LogP4.24
Rot. Bonds7

About 2-(4-fluorophenyl)-5-hexoxypyrazine

2-(4-fluorophenyl)-5-hexoxypyrazine (PubChem CID 14122081) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-hexoxypyrazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-hexoxypyrazine
PubChem CID14122081
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name2-(4-fluorophenyl)-5-hexoxypyrazine
SMILESCCCCCCOc1cnc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C16H19FN2O/c1-2-3-4-5-10-20-16-12-18-15(11-19-16)13-6-8-14(17)9-7-13/h6-9,11-12H,2-5,10H2,1H3
InChIKeyNBCLZOGDWIAMPG-UHFFFAOYSA-N
XLogP4.24
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-hexoxypyrazine?
The IUPAC name of 2-(4-fluorophenyl)-5-hexoxypyrazine (CID 14122081) is 2-(4-fluorophenyl)-5-hexoxypyrazine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-hexoxypyrazine?
The canonical SMILES for 2-(4-fluorophenyl)-5-hexoxypyrazine is CCCCCCOc1cnc(-c2ccc(F)cc2)cn1.
What is the InChIKey of 2-(4-fluorophenyl)-5-hexoxypyrazine?
The InChIKey is NBCLZOGDWIAMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-2-3-4-5-10-20-16-12-18-15(11-19-16)13-6-8-14(17)9-7-13/h6-9,11-12H,2-5,10H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-hexoxypyrazine?
2-(4-fluorophenyl)-5-hexoxypyrazine has a molecular weight of 274.34 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-hexoxypyrazine is sourced from PubChem (CID 14122081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).