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

C16H22FNO — CID 146273029

IUPAC9-benzyl-4-fluoro-1-oxa-9-azaspiro[5.5]undecane
SMILESFC1CCOC2(CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C16H22FNO/c17-15-6-11-19-16(12-15)7-9-18(10-8-16)13-14-4-2-1-3-5-14/h1-5,15H,6-13H2
InChIKeyDXGLBBBLABGXNM-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.17
Rot. Bonds2

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

9-benzyl-4-fluoro-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 146273029) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 9-benzyl-4-fluoro-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-benzyl-4-fluoro-1-oxa-9-azaspiro[5.5]undecane
PubChem CID146273029
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name9-benzyl-4-fluoro-1-oxa-9-azaspiro[5.5]undecane
SMILESFC1CCOC2(CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C16H22FNO/c17-15-6-11-19-16(12-15)7-9-18(10-8-16)13-14-4-2-1-3-5-14/h1-5,15H,6-13H2
InChIKeyDXGLBBBLABGXNM-UHFFFAOYSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-4-fluoro-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-benzyl-4-fluoro-1-oxa-9-azaspiro[5.5]undecane (CID 146273029) is 9-benzyl-4-fluoro-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-benzyl-4-fluoro-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-benzyl-4-fluoro-1-oxa-9-azaspiro[5.5]undecane is FC1CCOC2(CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of 9-benzyl-4-fluoro-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is DXGLBBBLABGXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c17-15-6-11-19-16(12-15)7-9-18(10-8-16)13-14-4-2-1-3-5-14/h1-5,15H,6-13H2.
What are the key properties of 9-benzyl-4-fluoro-1-oxa-9-azaspiro[5.5]undecane?
9-benzyl-4-fluoro-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 263.36 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-4-fluoro-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 146273029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).