4-fluoro-1-oxa-9-azaspiro[5.5]undecane

C9H16FNO — CID 146273106

IUPAC4-fluoro-1-oxa-9-azaspiro[5.5]undecane
SMILESFC1CCOC2(CCNCC2)C1
InChIInChI=1S/C9H16FNO/c10-8-1-6-12-9(7-8)2-4-11-5-3-9/h8,11H,1-7H2
InChIKeyLVKZQZPFBRLJAY-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.26
Rot. Bonds

About 4-fluoro-1-oxa-9-azaspiro[5.5]undecane

4-fluoro-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 146273106) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 4-fluoro-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4-fluoro-1-oxa-9-azaspiro[5.5]undecane
PubChem CID146273106
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name4-fluoro-1-oxa-9-azaspiro[5.5]undecane
SMILESFC1CCOC2(CCNCC2)C1
InChIInChI=1S/C9H16FNO/c10-8-1-6-12-9(7-8)2-4-11-5-3-9/h8,11H,1-7H2
InChIKeyLVKZQZPFBRLJAY-UHFFFAOYSA-N
XLogP1.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 4-fluoro-1-oxa-9-azaspiro[5.5]undecane (CID 146273106) is 4-fluoro-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 4-fluoro-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 4-fluoro-1-oxa-9-azaspiro[5.5]undecane is FC1CCOC2(CCNCC2)C1.
What is the InChIKey of 4-fluoro-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is LVKZQZPFBRLJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c10-8-1-6-12-9(7-8)2-4-11-5-3-9/h8,11H,1-7H2.
What are the key properties of 4-fluoro-1-oxa-9-azaspiro[5.5]undecane?
4-fluoro-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 173.23 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 146273106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).