8-[3-[2-(4-fluorophenyl)ethoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane

C18H26FNO3 — CID 22977307

IUPAC8-[3-[2-(4-fluorophenyl)ethoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1ccc(CCOCCCN2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C18H26FNO3/c19-17-4-2-16(3-5-17)6-13-21-12-1-9-20-10-7-18(8-11-20)22-14-15-23-18/h2-5H,1,6-15H2
InChIKeyDBFHWBKUCKPPSF-UHFFFAOYSA-N
MW323.41 g/mol
LogP2.61
Rot. Bonds7

About 8-[3-[2-(4-fluorophenyl)ethoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[3-[2-(4-fluorophenyl)ethoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 22977307) has the molecular formula C18H26FNO3 and a molecular weight of 323.41 g/mol. Its IUPAC name is 8-[3-[2-(4-fluorophenyl)ethoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[3-[2-(4-fluorophenyl)ethoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID22977307
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC Name8-[3-[2-(4-fluorophenyl)ethoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1ccc(CCOCCCN2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C18H26FNO3/c19-17-4-2-16(3-5-17)6-13-21-12-1-9-20-10-7-18(8-11-20)22-14-15-23-18/h2-5H,1,6-15H2
InChIKeyDBFHWBKUCKPPSF-UHFFFAOYSA-N
XLogP2.61
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[3-[2-(4-fluorophenyl)ethoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[3-[2-(4-fluorophenyl)ethoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 22977307) is 8-[3-[2-(4-fluorophenyl)ethoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[3-[2-(4-fluorophenyl)ethoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[3-[2-(4-fluorophenyl)ethoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane is Fc1ccc(CCOCCCN2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 8-[3-[2-(4-fluorophenyl)ethoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is DBFHWBKUCKPPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO3/c19-17-4-2-16(3-5-17)6-13-21-12-1-9-20-10-7-18(8-11-20)22-14-15-23-18/h2-5H,1,6-15H2.
What are the key properties of 8-[3-[2-(4-fluorophenyl)ethoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[3-[2-(4-fluorophenyl)ethoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 323.41 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[2-(4-fluorophenyl)ethoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 22977307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).