8-(2-fluoro-3-methoxy-2-methylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane

C11H20FNO2 — CID 170083755

IUPAC8-(2-fluoro-3-methoxy-2-methylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCOCC(C)(F)CN1C2CCC1COC2
InChIInChI=1S/C11H20FNO2/c1-11(12,8-14-2)7-13-9-3-4-10(13)6-15-5-9/h9-10H,3-8H2,1-2H3
InChIKeyGFGWRQAOVHRHEG-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.22
Rot. Bonds4

About 8-(2-fluoro-3-methoxy-2-methylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane

8-(2-fluoro-3-methoxy-2-methylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 170083755) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is 8-(2-fluoro-3-methoxy-2-methylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(2-fluoro-3-methoxy-2-methylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID170083755
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name8-(2-fluoro-3-methoxy-2-methylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCOCC(C)(F)CN1C2CCC1COC2
InChIInChI=1S/C11H20FNO2/c1-11(12,8-14-2)7-13-9-3-4-10(13)6-15-5-9/h9-10H,3-8H2,1-2H3
InChIKeyGFGWRQAOVHRHEG-UHFFFAOYSA-N
XLogP1.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoro-3-methoxy-2-methylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(2-fluoro-3-methoxy-2-methylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane (CID 170083755) is 8-(2-fluoro-3-methoxy-2-methylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(2-fluoro-3-methoxy-2-methylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(2-fluoro-3-methoxy-2-methylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane is COCC(C)(F)CN1C2CCC1COC2.
What is the InChIKey of 8-(2-fluoro-3-methoxy-2-methylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is GFGWRQAOVHRHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-11(12,8-14-2)7-13-9-3-4-10(13)6-15-5-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 8-(2-fluoro-3-methoxy-2-methylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane?
8-(2-fluoro-3-methoxy-2-methylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 217.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoro-3-methoxy-2-methylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 170083755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).