(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone

C17H22FNO3 — CID 111456864

IUPAC(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone
SMILESCCOC1CC(O)C12CCN(C(=O)c1cccc(F)c1)CC2
InChIInChI=1S/C17H22FNO3/c1-2-22-15-11-14(20)17(15)6-8-19(9-7-17)16(21)12-4-3-5-13(18)10-12/h3-5,10,14-15,20H,2,6-9,11H2,1H3
InChIKeyMKEFIAOXNBQSLN-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.22
Rot. Bonds3

About (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone

(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone (PubChem CID 111456864) has the molecular formula C17H22FNO3 and a molecular weight of 307.36 g/mol. Its IUPAC name is (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone
PubChem CID111456864
Molecular FormulaC17H22FNO3
Molecular Weight307.36 g/mol
Exact Mass307.16
IUPAC Name(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone
SMILESCCOC1CC(O)C12CCN(C(=O)c1cccc(F)c1)CC2
InChIInChI=1S/C17H22FNO3/c1-2-22-15-11-14(20)17(15)6-8-19(9-7-17)16(21)12-4-3-5-13(18)10-12/h3-5,10,14-15,20H,2,6-9,11H2,1H3
InChIKeyMKEFIAOXNBQSLN-UHFFFAOYSA-N
XLogP2.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone?
The IUPAC name of (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone (CID 111456864) is (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone.
What is the SMILES notation for (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone?
The canonical SMILES for (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone is CCOC1CC(O)C12CCN(C(=O)c1cccc(F)c1)CC2.
What is the InChIKey of (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone?
The InChIKey is MKEFIAOXNBQSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-2-22-15-11-14(20)17(15)6-8-19(9-7-17)16(21)12-4-3-5-13(18)10-12/h3-5,10,14-15,20H,2,6-9,11H2,1H3.
What are the key properties of (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone?
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone has a molecular weight of 307.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone is sourced from PubChem (CID 111456864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).