2-(4-fluorophenyl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

C16H20FNO2 — CID 122255205

IUPAC2-(4-fluorophenyl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESCOC1CC2CCC(C1)N2C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C16H20FNO2/c1-20-15-9-13-6-7-14(10-15)18(13)16(19)8-11-2-4-12(17)5-3-11/h2-5,13-15H,6-10H2,1H3
InChIKeyCDGJKWQADSVUHO-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.54
Rot. Bonds3

About 2-(4-fluorophenyl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

2-(4-fluorophenyl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (PubChem CID 122255205) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
PubChem CID122255205
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name2-(4-fluorophenyl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESCOC1CC2CCC(C1)N2C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C16H20FNO2/c1-20-15-9-13-6-7-14(10-15)18(13)16(19)8-11-2-4-12(17)5-3-11/h2-5,13-15H,6-10H2,1H3
InChIKeyCDGJKWQADSVUHO-UHFFFAOYSA-N
XLogP2.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (CID 122255205) is 2-(4-fluorophenyl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is COC1CC2CCC(C1)N2C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The InChIKey is CDGJKWQADSVUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-20-15-9-13-6-7-14(10-15)18(13)16(19)8-11-2-4-12(17)5-3-11/h2-5,13-15H,6-10H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
2-(4-fluorophenyl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone has a molecular weight of 277.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is sourced from PubChem (CID 122255205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).