3-(4-fluorophenyl)-8-methyl-1-oxa-8-azaspiro[4.5]decane

C15H20FNO — CID 67987633

IUPAC3-(4-fluorophenyl)-8-methyl-1-oxa-8-azaspiro[4.5]decane
SMILESCN1CCC2(CC1)CC(c1ccc(F)cc1)CO2
InChIInChI=1S/C15H20FNO/c1-17-8-6-15(7-9-17)10-13(11-18-15)12-2-4-14(16)5-3-12/h2-5,13H,6-11H2,1H3
InChIKeyXZZWENUYNXDPKB-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.79
Rot. Bonds1

About 3-(4-fluorophenyl)-8-methyl-1-oxa-8-azaspiro[4.5]decane

3-(4-fluorophenyl)-8-methyl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 67987633) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-8-methyl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(4-fluorophenyl)-8-methyl-1-oxa-8-azaspiro[4.5]decane
PubChem CID67987633
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name3-(4-fluorophenyl)-8-methyl-1-oxa-8-azaspiro[4.5]decane
SMILESCN1CCC2(CC1)CC(c1ccc(F)cc1)CO2
InChIInChI=1S/C15H20FNO/c1-17-8-6-15(7-9-17)10-13(11-18-15)12-2-4-14(16)5-3-12/h2-5,13H,6-11H2,1H3
InChIKeyXZZWENUYNXDPKB-UHFFFAOYSA-N
XLogP2.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-8-methyl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(4-fluorophenyl)-8-methyl-1-oxa-8-azaspiro[4.5]decane (CID 67987633) is 3-(4-fluorophenyl)-8-methyl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(4-fluorophenyl)-8-methyl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(4-fluorophenyl)-8-methyl-1-oxa-8-azaspiro[4.5]decane is CN1CCC2(CC1)CC(c1ccc(F)cc1)CO2.
What is the InChIKey of 3-(4-fluorophenyl)-8-methyl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is XZZWENUYNXDPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-17-8-6-15(7-9-17)10-13(11-18-15)12-2-4-14(16)5-3-12/h2-5,13H,6-11H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-8-methyl-1-oxa-8-azaspiro[4.5]decane?
3-(4-fluorophenyl)-8-methyl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 249.33 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-8-methyl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 67987633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).