2-(2-fluoroethoxy)-5-propan-2-ylpyrazine

C9H13FN2O — CID 58448462

IUPAC2-(2-fluoroethoxy)-5-propan-2-ylpyrazine
SMILESCC(C)c1cnc(OCCF)cn1
InChIInChI=1S/C9H13FN2O/c1-7(2)8-5-12-9(6-11-8)13-4-3-10/h5-7H,3-4H2,1-2H3
InChIKeyJDBSHAOPVGHMBL-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.95
Rot. Bonds4

About 2-(2-fluoroethoxy)-5-propan-2-ylpyrazine

2-(2-fluoroethoxy)-5-propan-2-ylpyrazine (PubChem CID 58448462) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 2-(2-fluoroethoxy)-5-propan-2-ylpyrazine.

Molecular Properties

Compound Name2-(2-fluoroethoxy)-5-propan-2-ylpyrazine
PubChem CID58448462
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name2-(2-fluoroethoxy)-5-propan-2-ylpyrazine
SMILESCC(C)c1cnc(OCCF)cn1
InChIInChI=1S/C9H13FN2O/c1-7(2)8-5-12-9(6-11-8)13-4-3-10/h5-7H,3-4H2,1-2H3
InChIKeyJDBSHAOPVGHMBL-UHFFFAOYSA-N
XLogP1.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethoxy)-5-propan-2-ylpyrazine?
The IUPAC name of 2-(2-fluoroethoxy)-5-propan-2-ylpyrazine (CID 58448462) is 2-(2-fluoroethoxy)-5-propan-2-ylpyrazine.
What is the SMILES notation for 2-(2-fluoroethoxy)-5-propan-2-ylpyrazine?
The canonical SMILES for 2-(2-fluoroethoxy)-5-propan-2-ylpyrazine is CC(C)c1cnc(OCCF)cn1.
What is the InChIKey of 2-(2-fluoroethoxy)-5-propan-2-ylpyrazine?
The InChIKey is JDBSHAOPVGHMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-7(2)8-5-12-9(6-11-8)13-4-3-10/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-(2-fluoroethoxy)-5-propan-2-ylpyrazine?
2-(2-fluoroethoxy)-5-propan-2-ylpyrazine has a molecular weight of 184.21 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethoxy)-5-propan-2-ylpyrazine is sourced from PubChem (CID 58448462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).