8-(6-fluoropyrazin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane

C10H12FN3O — CID 164653493

IUPAC8-(6-fluoropyrazin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane
SMILESFc1cncc(N2C3CCC2COC3)n1
InChIInChI=1S/C10H12FN3O/c11-9-3-12-4-10(13-9)14-7-1-2-8(14)6-15-5-7/h3-4,7-8H,1-2,5-6H2
InChIKeyNJSIOVUUTMUGGR-UHFFFAOYSA-N
MW209.22 g/mol
LogP0.98
Rot. Bonds1

About 8-(6-fluoropyrazin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane

8-(6-fluoropyrazin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 164653493) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is 8-(6-fluoropyrazin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(6-fluoropyrazin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID164653493
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name8-(6-fluoropyrazin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane
SMILESFc1cncc(N2C3CCC2COC3)n1
InChIInChI=1S/C10H12FN3O/c11-9-3-12-4-10(13-9)14-7-1-2-8(14)6-15-5-7/h3-4,7-8H,1-2,5-6H2
InChIKeyNJSIOVUUTMUGGR-UHFFFAOYSA-N
XLogP0.98
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(6-fluoropyrazin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(6-fluoropyrazin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane (CID 164653493) is 8-(6-fluoropyrazin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(6-fluoropyrazin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(6-fluoropyrazin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane is Fc1cncc(N2C3CCC2COC3)n1.
What is the InChIKey of 8-(6-fluoropyrazin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is NJSIOVUUTMUGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O/c11-9-3-12-4-10(13-9)14-7-1-2-8(14)6-15-5-7/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 8-(6-fluoropyrazin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane?
8-(6-fluoropyrazin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 209.22 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-fluoropyrazin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 164653493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).