5-(2-fluoro-2-methylpropoxy)-3-azaspiro[5.5]undecane

C14H26FNO — CID 140662958

IUPAC5-(2-fluoro-2-methylpropoxy)-3-azaspiro[5.5]undecane
SMILESCC(C)(F)COC1CNCCC12CCCCC2
InChIInChI=1S/C14H26FNO/c1-13(2,15)11-17-12-10-16-9-8-14(12)6-4-3-5-7-14/h12,16H,3-11H2,1-2H3
InChIKeySNBXIWKDVXCCBE-UHFFFAOYSA-N
MW243.37 g/mol
LogP3.06
Rot. Bonds3

About 5-(2-fluoro-2-methylpropoxy)-3-azaspiro[5.5]undecane

5-(2-fluoro-2-methylpropoxy)-3-azaspiro[5.5]undecane (PubChem CID 140662958) has the molecular formula C14H26FNO and a molecular weight of 243.37 g/mol. Its IUPAC name is 5-(2-fluoro-2-methylpropoxy)-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name5-(2-fluoro-2-methylpropoxy)-3-azaspiro[5.5]undecane
PubChem CID140662958
Molecular FormulaC14H26FNO
Molecular Weight243.37 g/mol
Exact Mass243.20
IUPAC Name5-(2-fluoro-2-methylpropoxy)-3-azaspiro[5.5]undecane
SMILESCC(C)(F)COC1CNCCC12CCCCC2
InChIInChI=1S/C14H26FNO/c1-13(2,15)11-17-12-10-16-9-8-14(12)6-4-3-5-7-14/h12,16H,3-11H2,1-2H3
InChIKeySNBXIWKDVXCCBE-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-2-methylpropoxy)-3-azaspiro[5.5]undecane?
The IUPAC name of 5-(2-fluoro-2-methylpropoxy)-3-azaspiro[5.5]undecane (CID 140662958) is 5-(2-fluoro-2-methylpropoxy)-3-azaspiro[5.5]undecane.
What is the SMILES notation for 5-(2-fluoro-2-methylpropoxy)-3-azaspiro[5.5]undecane?
The canonical SMILES for 5-(2-fluoro-2-methylpropoxy)-3-azaspiro[5.5]undecane is CC(C)(F)COC1CNCCC12CCCCC2.
What is the InChIKey of 5-(2-fluoro-2-methylpropoxy)-3-azaspiro[5.5]undecane?
The InChIKey is SNBXIWKDVXCCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNO/c1-13(2,15)11-17-12-10-16-9-8-14(12)6-4-3-5-7-14/h12,16H,3-11H2,1-2H3.
What are the key properties of 5-(2-fluoro-2-methylpropoxy)-3-azaspiro[5.5]undecane?
5-(2-fluoro-2-methylpropoxy)-3-azaspiro[5.5]undecane has a molecular weight of 243.37 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-2-methylpropoxy)-3-azaspiro[5.5]undecane is sourced from PubChem (CID 140662958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).