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

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Related Compounds

5-(3-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane
CID 79433045
5-(3-fluorophenyl)-9,10-dimethyl-3-azaspiro[5.5]undecane
CID 79432055
5-(3-fluorophenyl)-2-methoxy-7-azaspiro[3.5]nonane
CID 106824886
11-(3-fluorophenyl)-3-oxa-9-azaspiro[5.5]undecane
CID 79433041
5-benzyl-10,11-dimethyl-3-azaspiro[5.5]undecane
CID 79320491
(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
CID 45074276
4-ethyl-3-(3-fluorophenyl)-4-(2-methylbutyl)piperidine
CID 79439867
11-(4-fluorophenyl)-1-methyl-2-thia-9-azaspiro[5.5]undecane
CID 79951994
2-(3-fluorophenyl)-3-methylpyrrolidine
CID 3582862
4-methyl-6-(3-methylphenyl)-2-thia-8-azaspiro[4.5]decane
CID 114285264
8-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane
CID 84673420
3-fluoro-4-(3-fluorophenyl)piperidine
CID 83855496

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).