2-(4-fluorobut-2-ynoxy)-5-propan-2-ylpyrazine

C11H13FN2O — CID 58448502

IUPAC2-(4-fluorobut-2-ynoxy)-5-propan-2-ylpyrazine
SMILESCC(C)c1cnc(OCC#CCF)cn1
InChIInChI=1S/C11H13FN2O/c1-9(2)10-7-14-11(8-13-10)15-6-4-3-5-12/h7-9H,5-6H2,1-2H3
InChIKeyQVYFFNQPHQYJBV-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.95
Rot. Bonds3

About 2-(4-fluorobut-2-ynoxy)-5-propan-2-ylpyrazine

2-(4-fluorobut-2-ynoxy)-5-propan-2-ylpyrazine (PubChem CID 58448502) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-(4-fluorobut-2-ynoxy)-5-propan-2-ylpyrazine.

Molecular Properties

Compound Name2-(4-fluorobut-2-ynoxy)-5-propan-2-ylpyrazine
PubChem CID58448502
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name2-(4-fluorobut-2-ynoxy)-5-propan-2-ylpyrazine
SMILESCC(C)c1cnc(OCC#CCF)cn1
InChIInChI=1S/C11H13FN2O/c1-9(2)10-7-14-11(8-13-10)15-6-4-3-5-12/h7-9H,5-6H2,1-2H3
InChIKeyQVYFFNQPHQYJBV-UHFFFAOYSA-N
XLogP1.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobut-2-ynoxy)-5-propan-2-ylpyrazine?
The IUPAC name of 2-(4-fluorobut-2-ynoxy)-5-propan-2-ylpyrazine (CID 58448502) is 2-(4-fluorobut-2-ynoxy)-5-propan-2-ylpyrazine.
What is the SMILES notation for 2-(4-fluorobut-2-ynoxy)-5-propan-2-ylpyrazine?
The canonical SMILES for 2-(4-fluorobut-2-ynoxy)-5-propan-2-ylpyrazine is CC(C)c1cnc(OCC#CCF)cn1.
What is the InChIKey of 2-(4-fluorobut-2-ynoxy)-5-propan-2-ylpyrazine?
The InChIKey is QVYFFNQPHQYJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-9(2)10-7-14-11(8-13-10)15-6-4-3-5-12/h7-9H,5-6H2,1-2H3.
What are the key properties of 2-(4-fluorobut-2-ynoxy)-5-propan-2-ylpyrazine?
2-(4-fluorobut-2-ynoxy)-5-propan-2-ylpyrazine has a molecular weight of 208.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobut-2-ynoxy)-5-propan-2-ylpyrazine is sourced from PubChem (CID 58448502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).