5-(3-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane

C17H24FN — CID 79433045

IUPAC5-(3-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane
SMILESCC1CCCCC12CCNCC2c1cccc(F)c1
InChIInChI=1S/C17H24FN/c1-13-5-2-3-8-17(13)9-10-19-12-16(17)14-6-4-7-15(18)11-14/h4,6-7,11,13,16,19H,2-3,5,8-10,12H2,1H3
InChIKeyIDWSDXQRZCIKKY-UHFFFAOYSA-N
MW261.38 g/mol
LogP4.10
Rot. Bonds1

About 5-(3-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane

5-(3-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane (PubChem CID 79433045) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name5-(3-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane
PubChem CID79433045
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC Name5-(3-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane
SMILESCC1CCCCC12CCNCC2c1cccc(F)c1
InChIInChI=1S/C17H24FN/c1-13-5-2-3-8-17(13)9-10-19-12-16(17)14-6-4-7-15(18)11-14/h4,6-7,11,13,16,19H,2-3,5,8-10,12H2,1H3
InChIKeyIDWSDXQRZCIKKY-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane?
The IUPAC name of 5-(3-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane (CID 79433045) is 5-(3-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 5-(3-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane?
The canonical SMILES for 5-(3-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane is CC1CCCCC12CCNCC2c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane?
The InChIKey is IDWSDXQRZCIKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN/c1-13-5-2-3-8-17(13)9-10-19-12-16(17)14-6-4-7-15(18)11-14/h4,6-7,11,13,16,19H,2-3,5,8-10,12H2,1H3.
What are the key properties of 5-(3-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane?
5-(3-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane has a molecular weight of 261.38 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 79433045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).