2-(5-fluoro-2-pyridinyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane

C16H23FN2O — CID 115940635

IUPAC2-(5-fluoro-2-pyridinyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane
SMILESCC1NCC2(CCCCCC2)OC1c1ccc(F)cn1
InChIInChI=1S/C16H23FN2O/c1-12-15(14-7-6-13(17)10-18-14)20-16(11-19-12)8-4-2-3-5-9-16/h6-7,10,12,15,19H,2-5,8-9,11H2,1H3
InChIKeyUKBNYCSLZWIZFU-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.36
Rot. Bonds1

About 2-(5-fluoro-2-pyridinyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane

2-(5-fluoro-2-pyridinyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane (PubChem CID 115940635) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane
PubChem CID115940635
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name2-(5-fluoro-2-pyridinyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane
SMILESCC1NCC2(CCCCCC2)OC1c1ccc(F)cn1
InChIInChI=1S/C16H23FN2O/c1-12-15(14-7-6-13(17)10-18-14)20-16(11-19-12)8-4-2-3-5-9-16/h6-7,10,12,15,19H,2-5,8-9,11H2,1H3
InChIKeyUKBNYCSLZWIZFU-UHFFFAOYSA-N
XLogP3.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane (CID 115940635) is 2-(5-fluoro-2-pyridinyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane is CC1NCC2(CCCCCC2)OC1c1ccc(F)cn1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane?
The InChIKey is UKBNYCSLZWIZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-12-15(14-7-6-13(17)10-18-14)20-16(11-19-12)8-4-2-3-5-9-16/h6-7,10,12,15,19H,2-5,8-9,11H2,1H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane?
2-(5-fluoro-2-pyridinyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane has a molecular weight of 278.37 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane is sourced from PubChem (CID 115940635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).