9-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane

C18H26FNO2 — CID 131657616

IUPAC9-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane
SMILESCOCC1COCCC12CCN(Cc1cccc(F)c1)CC2
InChIInChI=1S/C18H26FNO2/c1-21-13-16-14-22-10-7-18(16)5-8-20(9-6-18)12-15-3-2-4-17(19)11-15/h2-4,11,16H,5-10,12-14H2,1H3
InChIKeyURXQYDROLJMWPU-UHFFFAOYSA-N
MW307.41 g/mol
LogP3.09
Rot. Bonds4

About 9-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane

9-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 131657616) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is 9-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane
PubChem CID131657616
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC Name9-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane
SMILESCOCC1COCCC12CCN(Cc1cccc(F)c1)CC2
InChIInChI=1S/C18H26FNO2/c1-21-13-16-14-22-10-7-18(16)5-8-20(9-6-18)12-15-3-2-4-17(19)11-15/h2-4,11,16H,5-10,12-14H2,1H3
InChIKeyURXQYDROLJMWPU-UHFFFAOYSA-N
XLogP3.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane (CID 131657616) is 9-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane is COCC1COCCC12CCN(Cc1cccc(F)c1)CC2.
What is the InChIKey of 9-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is URXQYDROLJMWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO2/c1-21-13-16-14-22-10-7-18(16)5-8-20(9-6-18)12-15-3-2-4-17(19)11-15/h2-4,11,16H,5-10,12-14H2,1H3.
What are the key properties of 9-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane?
9-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 307.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 131657616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).