4-(4-fluorophenyl)-1-azaspiro[5.5]undecane

C16H22FN — CID 164681760

IUPAC4-(4-fluorophenyl)-1-azaspiro[5.5]undecane
SMILESFc1ccc(C2CCNC3(CCCCC3)C2)cc1
InChIInChI=1S/C16H22FN/c17-15-6-4-13(5-7-15)14-8-11-18-16(12-14)9-2-1-3-10-16/h4-7,14,18H,1-3,8-12H2
InChIKeyQDDUGVSDXFOVFX-UHFFFAOYSA-N
MW247.36 g/mol
LogP4.00
Rot. Bonds1

About 4-(4-fluorophenyl)-1-azaspiro[5.5]undecane

4-(4-fluorophenyl)-1-azaspiro[5.5]undecane (PubChem CID 164681760) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-azaspiro[5.5]undecane
PubChem CID164681760
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC Name4-(4-fluorophenyl)-1-azaspiro[5.5]undecane
SMILESFc1ccc(C2CCNC3(CCCCC3)C2)cc1
InChIInChI=1S/C16H22FN/c17-15-6-4-13(5-7-15)14-8-11-18-16(12-14)9-2-1-3-10-16/h4-7,14,18H,1-3,8-12H2
InChIKeyQDDUGVSDXFOVFX-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-azaspiro[5.5]undecane?
The IUPAC name of 4-(4-fluorophenyl)-1-azaspiro[5.5]undecane (CID 164681760) is 4-(4-fluorophenyl)-1-azaspiro[5.5]undecane.
What is the SMILES notation for 4-(4-fluorophenyl)-1-azaspiro[5.5]undecane?
The canonical SMILES for 4-(4-fluorophenyl)-1-azaspiro[5.5]undecane is Fc1ccc(C2CCNC3(CCCCC3)C2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1-azaspiro[5.5]undecane?
The InChIKey is QDDUGVSDXFOVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN/c17-15-6-4-13(5-7-15)14-8-11-18-16(12-14)9-2-1-3-10-16/h4-7,14,18H,1-3,8-12H2.
What are the key properties of 4-(4-fluorophenyl)-1-azaspiro[5.5]undecane?
4-(4-fluorophenyl)-1-azaspiro[5.5]undecane has a molecular weight of 247.36 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-azaspiro[5.5]undecane is sourced from PubChem (CID 164681760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).