3-[2-(4-fluorophenoxy)ethyl]-3-azaspiro[5.5]undecane

C18H26FNO — CID 14674

IUPAC3-[2-(4-fluorophenoxy)ethyl]-3-azaspiro[5.5]undecane
SMILESFc1ccc(OCCN2CCC3(CCCCC3)CC2)cc1
InChIInChI=1S/C18H26FNO/c19-16-4-6-17(7-5-16)21-15-14-20-12-10-18(11-13-20)8-2-1-3-9-18/h4-7H,1-3,8-15H2
InChIKeyQJWZDBZEYMUZSI-UHFFFAOYSA-N
MW291.41 g/mol
LogP4.25
Rot. Bonds4

About 3-[2-(4-fluorophenoxy)ethyl]-3-azaspiro[5.5]undecane

3-[2-(4-fluorophenoxy)ethyl]-3-azaspiro[5.5]undecane (PubChem CID 14674) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is 3-[2-(4-fluorophenoxy)ethyl]-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-[2-(4-fluorophenoxy)ethyl]-3-azaspiro[5.5]undecane
PubChem CID14674
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC Name3-[2-(4-fluorophenoxy)ethyl]-3-azaspiro[5.5]undecane
SMILESFc1ccc(OCCN2CCC3(CCCCC3)CC2)cc1
InChIInChI=1S/C18H26FNO/c19-16-4-6-17(7-5-16)21-15-14-20-12-10-18(11-13-20)8-2-1-3-9-18/h4-7H,1-3,8-15H2
InChIKeyQJWZDBZEYMUZSI-UHFFFAOYSA-N
XLogP4.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenoxy)ethyl]-3-azaspiro[5.5]undecane?
The IUPAC name of 3-[2-(4-fluorophenoxy)ethyl]-3-azaspiro[5.5]undecane (CID 14674) is 3-[2-(4-fluorophenoxy)ethyl]-3-azaspiro[5.5]undecane.
What is the SMILES notation for 3-[2-(4-fluorophenoxy)ethyl]-3-azaspiro[5.5]undecane?
The canonical SMILES for 3-[2-(4-fluorophenoxy)ethyl]-3-azaspiro[5.5]undecane is Fc1ccc(OCCN2CCC3(CCCCC3)CC2)cc1.
What is the InChIKey of 3-[2-(4-fluorophenoxy)ethyl]-3-azaspiro[5.5]undecane?
The InChIKey is QJWZDBZEYMUZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO/c19-16-4-6-17(7-5-16)21-15-14-20-12-10-18(11-13-20)8-2-1-3-9-18/h4-7H,1-3,8-15H2.
What are the key properties of 3-[2-(4-fluorophenoxy)ethyl]-3-azaspiro[5.5]undecane?
3-[2-(4-fluorophenoxy)ethyl]-3-azaspiro[5.5]undecane has a molecular weight of 291.41 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenoxy)ethyl]-3-azaspiro[5.5]undecane is sourced from PubChem (CID 14674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).