9-(bromomethyl)-9-fluoro-3-azaspiro[5.5]undecane

C11H19BrFN — CID 155893741

IUPAC9-(bromomethyl)-9-fluoro-3-azaspiro[5.5]undecane
SMILESFC1(CBr)CCC2(CCNCC2)CC1
InChIInChI=1S/C11H19BrFN/c12-9-11(13)3-1-10(2-4-11)5-7-14-8-6-10/h14H,1-9H2
InChIKeyGDWKKCSVLIUOCZ-UHFFFAOYSA-N
MW264.18 g/mol
LogP3.03
Rot. Bonds1

About 9-(bromomethyl)-9-fluoro-3-azaspiro[5.5]undecane

9-(bromomethyl)-9-fluoro-3-azaspiro[5.5]undecane (PubChem CID 155893741) has the molecular formula C11H19BrFN and a molecular weight of 264.18 g/mol. Its IUPAC name is 9-(bromomethyl)-9-fluoro-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(bromomethyl)-9-fluoro-3-azaspiro[5.5]undecane
PubChem CID155893741
Molecular FormulaC11H19BrFN
Molecular Weight264.18 g/mol
Exact Mass263.07
IUPAC Name9-(bromomethyl)-9-fluoro-3-azaspiro[5.5]undecane
SMILESFC1(CBr)CCC2(CCNCC2)CC1
InChIInChI=1S/C11H19BrFN/c12-9-11(13)3-1-10(2-4-11)5-7-14-8-6-10/h14H,1-9H2
InChIKeyGDWKKCSVLIUOCZ-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(bromomethyl)-9-fluoro-3-azaspiro[5.5]undecane?
The IUPAC name of 9-(bromomethyl)-9-fluoro-3-azaspiro[5.5]undecane (CID 155893741) is 9-(bromomethyl)-9-fluoro-3-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(bromomethyl)-9-fluoro-3-azaspiro[5.5]undecane?
The canonical SMILES for 9-(bromomethyl)-9-fluoro-3-azaspiro[5.5]undecane is FC1(CBr)CCC2(CCNCC2)CC1.
What is the InChIKey of 9-(bromomethyl)-9-fluoro-3-azaspiro[5.5]undecane?
The InChIKey is GDWKKCSVLIUOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrFN/c12-9-11(13)3-1-10(2-4-11)5-7-14-8-6-10/h14H,1-9H2.
What are the key properties of 9-(bromomethyl)-9-fluoro-3-azaspiro[5.5]undecane?
9-(bromomethyl)-9-fluoro-3-azaspiro[5.5]undecane has a molecular weight of 264.18 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(bromomethyl)-9-fluoro-3-azaspiro[5.5]undecane is sourced from PubChem (CID 155893741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).