11-(3-fluorophenyl)-3-oxa-9-azaspiro[5.5]undecane

C15H20FNO — CID 79433041

IUPAC11-(3-fluorophenyl)-3-oxa-9-azaspiro[5.5]undecane
SMILESFc1cccc(C2CNCCC23CCOCC3)c1
InChIInChI=1S/C15H20FNO/c16-13-3-1-2-12(10-13)14-11-17-7-4-15(14)5-8-18-9-6-15/h1-3,10,14,17H,4-9,11H2
InChIKeyVBTVOINDVWGDRZ-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.70
Rot. Bonds1

About 11-(3-fluorophenyl)-3-oxa-9-azaspiro[5.5]undecane

11-(3-fluorophenyl)-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 79433041) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 11-(3-fluorophenyl)-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name11-(3-fluorophenyl)-3-oxa-9-azaspiro[5.5]undecane
PubChem CID79433041
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name11-(3-fluorophenyl)-3-oxa-9-azaspiro[5.5]undecane
SMILESFc1cccc(C2CNCCC23CCOCC3)c1
InChIInChI=1S/C15H20FNO/c16-13-3-1-2-12(10-13)14-11-17-7-4-15(14)5-8-18-9-6-15/h1-3,10,14,17H,4-9,11H2
InChIKeyVBTVOINDVWGDRZ-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

11-(3-bromophenyl)-3-oxa-9-azaspiro[5.5]undecane
CID 79432043
5-(3-bromophenyl)-9-oxa-3-azaspiro[5.6]dodecane
CID 79433530
5-(3-fluorophenyl)-2-methoxy-7-azaspiro[3.5]nonane
CID 106824886
5-(3-fluorophenyl)-9,10-dimethyl-3-azaspiro[5.5]undecane
CID 79432055
6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane
CID 79441983
5-(3-fluorophenyl)-11-methyl-3-azaspiro[5.5]undecane
CID 79433045
5-(3-fluorophenyl)-10,11-dimethyl-3-azaspiro[5.5]undecane
CID 79431795
5-(3-bromophenyl)-9,9-dimethyl-3-azaspiro[5.5]undecane
CID 79433285
4-ethyl-3-(3-fluorophenyl)-4-(2-methylbutyl)piperidine
CID 79439867
4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane
CID 79441377
8-(3-nitrophenyl)-6-azaspiro[2.5]octane
CID 175957530
(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
CID 45074276

Frequently Asked Questions

What is the IUPAC name of 11-(3-fluorophenyl)-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 11-(3-fluorophenyl)-3-oxa-9-azaspiro[5.5]undecane (CID 79433041) is 11-(3-fluorophenyl)-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 11-(3-fluorophenyl)-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 11-(3-fluorophenyl)-3-oxa-9-azaspiro[5.5]undecane is Fc1cccc(C2CNCCC23CCOCC3)c1.
What is the InChIKey of 11-(3-fluorophenyl)-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is VBTVOINDVWGDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c16-13-3-1-2-12(10-13)14-11-17-7-4-15(14)5-8-18-9-6-15/h1-3,10,14,17H,4-9,11H2.
What are the key properties of 11-(3-fluorophenyl)-3-oxa-9-azaspiro[5.5]undecane?
11-(3-fluorophenyl)-3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 249.33 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-fluorophenyl)-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 79433041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).