3-fluoro-3-(oxolan-3-yl)-8-azabicyclo[3.2.1]octane

C11H18FNO — CID 112564611

IUPAC3-fluoro-3-(oxolan-3-yl)-8-azabicyclo[3.2.1]octane
SMILESFC1(C2CCOC2)CC2CCC(C1)N2
InChIInChI=1S/C11H18FNO/c12-11(8-3-4-14-7-8)5-9-1-2-10(6-11)13-9/h8-10,13H,1-7H2
InChIKeyNOHUIYUOHPZOAA-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.65
Rot. Bonds1

About 3-fluoro-3-(oxolan-3-yl)-8-azabicyclo[3.2.1]octane

3-fluoro-3-(oxolan-3-yl)-8-azabicyclo[3.2.1]octane (PubChem CID 112564611) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 3-fluoro-3-(oxolan-3-yl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-fluoro-3-(oxolan-3-yl)-8-azabicyclo[3.2.1]octane
PubChem CID112564611
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name3-fluoro-3-(oxolan-3-yl)-8-azabicyclo[3.2.1]octane
SMILESFC1(C2CCOC2)CC2CCC(C1)N2
InChIInChI=1S/C11H18FNO/c12-11(8-3-4-14-7-8)5-9-1-2-10(6-11)13-9/h8-10,13H,1-7H2
InChIKeyNOHUIYUOHPZOAA-UHFFFAOYSA-N
XLogP1.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(oxolan-3-yl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-fluoro-3-(oxolan-3-yl)-8-azabicyclo[3.2.1]octane (CID 112564611) is 3-fluoro-3-(oxolan-3-yl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-fluoro-3-(oxolan-3-yl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-fluoro-3-(oxolan-3-yl)-8-azabicyclo[3.2.1]octane is FC1(C2CCOC2)CC2CCC(C1)N2.
What is the InChIKey of 3-fluoro-3-(oxolan-3-yl)-8-azabicyclo[3.2.1]octane?
The InChIKey is NOHUIYUOHPZOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c12-11(8-3-4-14-7-8)5-9-1-2-10(6-11)13-9/h8-10,13H,1-7H2.
What are the key properties of 3-fluoro-3-(oxolan-3-yl)-8-azabicyclo[3.2.1]octane?
3-fluoro-3-(oxolan-3-yl)-8-azabicyclo[3.2.1]octane has a molecular weight of 199.27 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(oxolan-3-yl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 112564611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).