1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-fluorophenyl)methanone

C14H16FNO3 — CID 2241021

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H16FNO3/c15-12-3-1-11(2-4-12)13(17)16-7-5-14(6-8-16)18-9-10-19-14/h1-4H,5-10H2
InChIKeyXZBVTQSFVMJOPF-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.80
Rot. Bonds1

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-fluorophenyl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-fluorophenyl)methanone (PubChem CID 2241021) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-fluorophenyl)methanone
PubChem CID2241021
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H16FNO3/c15-12-3-1-11(2-4-12)13(17)16-7-5-14(6-8-16)18-9-10-19-14/h1-4H,5-10H2
InChIKeyXZBVTQSFVMJOPF-UHFFFAOYSA-N
XLogP1.80
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-fluorophenyl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-fluorophenyl)methanone (CID 2241021) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-fluorophenyl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-fluorophenyl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-fluorophenyl)methanone?
The InChIKey is XZBVTQSFVMJOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c15-12-3-1-11(2-4-12)13(17)16-7-5-14(6-8-16)18-9-10-19-14/h1-4H,5-10H2.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-fluorophenyl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-fluorophenyl)methanone has a molecular weight of 265.28 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-fluorophenyl)methanone is sourced from PubChem (CID 2241021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).