3-(3-bromofuran-2-yl)-3-fluoro-8-azabicyclo[3.2.1]octane

C11H13BrFNO — CID 112564703

IUPAC3-(3-bromofuran-2-yl)-3-fluoro-8-azabicyclo[3.2.1]octane
SMILESFC1(c2occc2Br)CC2CCC(C1)N2
InChIInChI=1S/C11H13BrFNO/c12-9-3-4-15-10(9)11(13)5-7-1-2-8(6-11)14-7/h3-4,7-8,14H,1-2,5-6H2
InChIKeyLLNBACNLQJWOLH-UHFFFAOYSA-N
MW274.13 g/mol
LogP3.12
Rot. Bonds1

About 3-(3-bromofuran-2-yl)-3-fluoro-8-azabicyclo[3.2.1]octane

3-(3-bromofuran-2-yl)-3-fluoro-8-azabicyclo[3.2.1]octane (PubChem CID 112564703) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 3-(3-bromofuran-2-yl)-3-fluoro-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(3-bromofuran-2-yl)-3-fluoro-8-azabicyclo[3.2.1]octane
PubChem CID112564703
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name3-(3-bromofuran-2-yl)-3-fluoro-8-azabicyclo[3.2.1]octane
SMILESFC1(c2occc2Br)CC2CCC(C1)N2
InChIInChI=1S/C11H13BrFNO/c12-9-3-4-15-10(9)11(13)5-7-1-2-8(6-11)14-7/h3-4,7-8,14H,1-2,5-6H2
InChIKeyLLNBACNLQJWOLH-UHFFFAOYSA-N
XLogP3.12
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromofuran-2-yl)-3-fluoro-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(3-bromofuran-2-yl)-3-fluoro-8-azabicyclo[3.2.1]octane (CID 112564703) is 3-(3-bromofuran-2-yl)-3-fluoro-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(3-bromofuran-2-yl)-3-fluoro-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(3-bromofuran-2-yl)-3-fluoro-8-azabicyclo[3.2.1]octane is FC1(c2occc2Br)CC2CCC(C1)N2.
What is the InChIKey of 3-(3-bromofuran-2-yl)-3-fluoro-8-azabicyclo[3.2.1]octane?
The InChIKey is LLNBACNLQJWOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-9-3-4-15-10(9)11(13)5-7-1-2-8(6-11)14-7/h3-4,7-8,14H,1-2,5-6H2.
What are the key properties of 3-(3-bromofuran-2-yl)-3-fluoro-8-azabicyclo[3.2.1]octane?
3-(3-bromofuran-2-yl)-3-fluoro-8-azabicyclo[3.2.1]octane has a molecular weight of 274.13 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromofuran-2-yl)-3-fluoro-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 112564703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).