8-tert-butyl-3-[2-(4-fluorophenyl)ethyl]-2-oxa-8-azaspiro[4.5]decane

C20H30FNO — CID 18342614

IUPAC8-tert-butyl-3-[2-(4-fluorophenyl)ethyl]-2-oxa-8-azaspiro[4.5]decane
SMILESCC(C)(C)N1CCC2(CC1)COC(CCc1ccc(F)cc1)C2
InChIInChI=1S/C20H30FNO/c1-19(2,3)22-12-10-20(11-13-22)14-18(23-15-20)9-6-16-4-7-17(21)8-5-16/h4-5,7-8,18H,6,9-15H2,1-3H3
InChIKeyOWOFKKVZVCNMFC-UHFFFAOYSA-N
MW319.46 g/mol
LogP4.43
Rot. Bonds3

About 8-tert-butyl-3-[2-(4-fluorophenyl)ethyl]-2-oxa-8-azaspiro[4.5]decane

8-tert-butyl-3-[2-(4-fluorophenyl)ethyl]-2-oxa-8-azaspiro[4.5]decane (PubChem CID 18342614) has the molecular formula C20H30FNO and a molecular weight of 319.46 g/mol. Its IUPAC name is 8-tert-butyl-3-[2-(4-fluorophenyl)ethyl]-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-tert-butyl-3-[2-(4-fluorophenyl)ethyl]-2-oxa-8-azaspiro[4.5]decane
PubChem CID18342614
Molecular FormulaC20H30FNO
Molecular Weight319.46 g/mol
Exact Mass319.23
IUPAC Name8-tert-butyl-3-[2-(4-fluorophenyl)ethyl]-2-oxa-8-azaspiro[4.5]decane
SMILESCC(C)(C)N1CCC2(CC1)COC(CCc1ccc(F)cc1)C2
InChIInChI=1S/C20H30FNO/c1-19(2,3)22-12-10-20(11-13-22)14-18(23-15-20)9-6-16-4-7-17(21)8-5-16/h4-5,7-8,18H,6,9-15H2,1-3H3
InChIKeyOWOFKKVZVCNMFC-UHFFFAOYSA-N
XLogP4.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-[2-(4-fluorophenyl)ethyl]-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-tert-butyl-3-[2-(4-fluorophenyl)ethyl]-2-oxa-8-azaspiro[4.5]decane (CID 18342614) is 8-tert-butyl-3-[2-(4-fluorophenyl)ethyl]-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-tert-butyl-3-[2-(4-fluorophenyl)ethyl]-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-tert-butyl-3-[2-(4-fluorophenyl)ethyl]-2-oxa-8-azaspiro[4.5]decane is CC(C)(C)N1CCC2(CC1)COC(CCc1ccc(F)cc1)C2.
What is the InChIKey of 8-tert-butyl-3-[2-(4-fluorophenyl)ethyl]-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is OWOFKKVZVCNMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FNO/c1-19(2,3)22-12-10-20(11-13-22)14-18(23-15-20)9-6-16-4-7-17(21)8-5-16/h4-5,7-8,18H,6,9-15H2,1-3H3.
What are the key properties of 8-tert-butyl-3-[2-(4-fluorophenyl)ethyl]-2-oxa-8-azaspiro[4.5]decane?
8-tert-butyl-3-[2-(4-fluorophenyl)ethyl]-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 319.46 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3-[2-(4-fluorophenyl)ethyl]-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 18342614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).