2-(3-fluorophenyl)-1-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)ethanone

C17H22FNO2 — CID 110197932

IUPAC2-(3-fluorophenyl)-1-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)ethanone
SMILESCOC1CCC12CCN(C(=O)Cc1cccc(F)c1)CC2
InChIInChI=1S/C17H22FNO2/c1-21-15-5-6-17(15)7-9-19(10-8-17)16(20)12-13-3-2-4-14(18)11-13/h2-4,11,15H,5-10,12H2,1H3
InChIKeyXOWRDQIMEQCLRS-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.79
Rot. Bonds3

About 2-(3-fluorophenyl)-1-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)ethanone

2-(3-fluorophenyl)-1-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)ethanone (PubChem CID 110197932) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)ethanone
PubChem CID110197932
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Name2-(3-fluorophenyl)-1-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)ethanone
SMILESCOC1CCC12CCN(C(=O)Cc1cccc(F)c1)CC2
InChIInChI=1S/C17H22FNO2/c1-21-15-5-6-17(15)7-9-19(10-8-17)16(20)12-13-3-2-4-14(18)11-13/h2-4,11,15H,5-10,12H2,1H3
InChIKeyXOWRDQIMEQCLRS-UHFFFAOYSA-N
XLogP2.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)ethanone (CID 110197932) is 2-(3-fluorophenyl)-1-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)ethanone is COC1CCC12CCN(C(=O)Cc1cccc(F)c1)CC2.
What is the InChIKey of 2-(3-fluorophenyl)-1-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)ethanone?
The InChIKey is XOWRDQIMEQCLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-21-15-5-6-17(15)7-9-19(10-8-17)16(20)12-13-3-2-4-14(18)11-13/h2-4,11,15H,5-10,12H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)ethanone?
2-(3-fluorophenyl)-1-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)ethanone has a molecular weight of 291.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)ethanone is sourced from PubChem (CID 110197932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).