8-[1-(4-fluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane

C15H20FNO2 — CID 51076811

IUPAC8-[1-(4-fluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC(c1ccc(F)cc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H20FNO2/c1-12(13-2-4-14(16)5-3-13)17-8-6-15(7-9-17)18-10-11-19-15/h2-5,12H,6-11H2,1H3
InChIKeyHSQKSANKNIBGKJ-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.73
Rot. Bonds2

About 8-[1-(4-fluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[1-(4-fluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 51076811) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 8-[1-(4-fluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[1-(4-fluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID51076811
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name8-[1-(4-fluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC(c1ccc(F)cc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H20FNO2/c1-12(13-2-4-14(16)5-3-13)17-8-6-15(7-9-17)18-10-11-19-15/h2-5,12H,6-11H2,1H3
InChIKeyHSQKSANKNIBGKJ-UHFFFAOYSA-N
XLogP2.73
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(4-fluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[1-(4-fluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 51076811) is 8-[1-(4-fluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[1-(4-fluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[1-(4-fluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane is CC(c1ccc(F)cc1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-[1-(4-fluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is HSQKSANKNIBGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-12(13-2-4-14(16)5-3-13)17-8-6-15(7-9-17)18-10-11-19-15/h2-5,12H,6-11H2,1H3.
What are the key properties of 8-[1-(4-fluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[1-(4-fluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 265.33 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(4-fluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 51076811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).