3-ethoxy-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane

C17H24FNO2 — CID 118743998

IUPAC3-ethoxy-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESCCOC1COC2(CCN(Cc3cccc(F)c3)CC2)C1
InChIInChI=1S/C17H24FNO2/c1-2-20-16-11-17(21-13-16)6-8-19(9-7-17)12-14-4-3-5-15(18)10-14/h3-5,10,16H,2,6-9,11-13H2,1H3
InChIKeyXGRMODUKDWRDOL-UHFFFAOYSA-N
MW293.38 g/mol
LogP2.99
Rot. Bonds4

About 3-ethoxy-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane

3-ethoxy-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118743998) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 3-ethoxy-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-ethoxy-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
PubChem CID118743998
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name3-ethoxy-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESCCOC1COC2(CCN(Cc3cccc(F)c3)CC2)C1
InChIInChI=1S/C17H24FNO2/c1-2-20-16-11-17(21-13-16)6-8-19(9-7-17)12-14-4-3-5-15(18)10-14/h3-5,10,16H,2,6-9,11-13H2,1H3
InChIKeyXGRMODUKDWRDOL-UHFFFAOYSA-N
XLogP2.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-ethoxy-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane (CID 118743998) is 3-ethoxy-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-ethoxy-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-ethoxy-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane is CCOC1COC2(CCN(Cc3cccc(F)c3)CC2)C1.
What is the InChIKey of 3-ethoxy-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is XGRMODUKDWRDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-2-20-16-11-17(21-13-16)6-8-19(9-7-17)12-14-4-3-5-15(18)10-14/h3-5,10,16H,2,6-9,11-13H2,1H3.
What are the key properties of 3-ethoxy-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane?
3-ethoxy-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 293.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118743998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).