5-(3-fluorophenyl)-10,11-dimethyl-3-azaspiro[5.5]undecane

C18H26FN — CID 79431795

IUPAC5-(3-fluorophenyl)-10,11-dimethyl-3-azaspiro[5.5]undecane
SMILESCC1CCCC2(CCNCC2c2cccc(F)c2)C1C
InChIInChI=1S/C18H26FN/c1-13-5-4-8-18(14(13)2)9-10-20-12-17(18)15-6-3-7-16(19)11-15/h3,6-7,11,13-14,17,20H,4-5,8-10,12H2,1-2H3
InChIKeyFFPKPFPRZIHDMF-UHFFFAOYSA-N
MW275.41 g/mol
LogP4.35
Rot. Bonds1

About 5-(3-fluorophenyl)-10,11-dimethyl-3-azaspiro[5.5]undecane

5-(3-fluorophenyl)-10,11-dimethyl-3-azaspiro[5.5]undecane (PubChem CID 79431795) has the molecular formula C18H26FN and a molecular weight of 275.41 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-10,11-dimethyl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name5-(3-fluorophenyl)-10,11-dimethyl-3-azaspiro[5.5]undecane
PubChem CID79431795
Molecular FormulaC18H26FN
Molecular Weight275.41 g/mol
Exact Mass275.20
IUPAC Name5-(3-fluorophenyl)-10,11-dimethyl-3-azaspiro[5.5]undecane
SMILESCC1CCCC2(CCNCC2c2cccc(F)c2)C1C
InChIInChI=1S/C18H26FN/c1-13-5-4-8-18(14(13)2)9-10-20-12-17(18)15-6-3-7-16(19)11-15/h3,6-7,11,13-14,17,20H,4-5,8-10,12H2,1-2H3
InChIKeyFFPKPFPRZIHDMF-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(3-fluorophenyl)-10,11-dimethyl-3-azaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-10,11-dimethyl-3-azaspiro[5.5]undecane?
The IUPAC name of 5-(3-fluorophenyl)-10,11-dimethyl-3-azaspiro[5.5]undecane (CID 79431795) is 5-(3-fluorophenyl)-10,11-dimethyl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 5-(3-fluorophenyl)-10,11-dimethyl-3-azaspiro[5.5]undecane?
The canonical SMILES for 5-(3-fluorophenyl)-10,11-dimethyl-3-azaspiro[5.5]undecane is CC1CCCC2(CCNCC2c2cccc(F)c2)C1C.
What is the InChIKey of 5-(3-fluorophenyl)-10,11-dimethyl-3-azaspiro[5.5]undecane?
The InChIKey is FFPKPFPRZIHDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN/c1-13-5-4-8-18(14(13)2)9-10-20-12-17(18)15-6-3-7-16(19)11-15/h3,6-7,11,13-14,17,20H,4-5,8-10,12H2,1-2H3.
What are the key properties of 5-(3-fluorophenyl)-10,11-dimethyl-3-azaspiro[5.5]undecane?
5-(3-fluorophenyl)-10,11-dimethyl-3-azaspiro[5.5]undecane has a molecular weight of 275.41 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-10,11-dimethyl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 79431795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).