3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-8-azabicyclo[3.2.1]octane

C12H18FNO — CID 102648247

IUPAC3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-8-azabicyclo[3.2.1]octane
SMILESFC1(C2=CCCCO2)CC2CCC(C1)N2
InChIInChI=1S/C12H18FNO/c13-12(11-3-1-2-6-15-11)7-9-4-5-10(8-12)14-9/h3,9-10,14H,1-2,4-8H2
InChIKeyYIOWWOUILHJJCZ-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.30
Rot. Bonds1

About 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-8-azabicyclo[3.2.1]octane

3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-8-azabicyclo[3.2.1]octane (PubChem CID 102648247) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-8-azabicyclo[3.2.1]octane
PubChem CID102648247
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-8-azabicyclo[3.2.1]octane
SMILESFC1(C2=CCCCO2)CC2CCC(C1)N2
InChIInChI=1S/C12H18FNO/c13-12(11-3-1-2-6-15-11)7-9-4-5-10(8-12)14-9/h3,9-10,14H,1-2,4-8H2
InChIKeyYIOWWOUILHJJCZ-UHFFFAOYSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-Fluorocyclohexa-1,3-dien-1-yl)oxymethyl]-8-azabicyclo[3.2.1]octane
CID 70842109
2-[2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoropropyl]piperidine
CID 102648262
3-(2,3-Dihydrofuran-5-yl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 102652370
2-[2-(2,3-Dihydrofuran-5-yl)-2-fluoropropyl]piperidine
CID 102652385
3-(3,4-dihydro-2H-pyran-5-yl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 104059474

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-8-azabicyclo[3.2.1]octane (CID 102648247) is 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-8-azabicyclo[3.2.1]octane is FC1(C2=CCCCO2)CC2CCC(C1)N2.
What is the InChIKey of 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-8-azabicyclo[3.2.1]octane?
The InChIKey is YIOWWOUILHJJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c13-12(11-3-1-2-6-15-11)7-9-4-5-10(8-12)14-9/h3,9-10,14H,1-2,4-8H2.
What are the key properties of 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-8-azabicyclo[3.2.1]octane?
3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-8-azabicyclo[3.2.1]octane has a molecular weight of 211.28 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyran-6-yl)-3-fluoro-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 102648247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).