2-bromo-2-fluoro-4-azaspiro[2.4]heptane

C6H9BrFN — CID 146598189

IUPAC2-bromo-2-fluoro-4-azaspiro[2.4]heptane
SMILESFC1(Br)CC12CCCN2
InChIInChI=1S/C6H9BrFN/c7-6(8)4-5(6)2-1-3-9-5/h9H,1-4H2
InChIKeyKOVVHPBBYWLZKF-UHFFFAOYSA-N
MW194.05 g/mol
LogP1.57
Rot. Bonds

About 2-bromo-2-fluoro-4-azaspiro[2.4]heptane

2-bromo-2-fluoro-4-azaspiro[2.4]heptane (PubChem CID 146598189) has the molecular formula C6H9BrFN and a molecular weight of 194.05 g/mol. Its IUPAC name is 2-bromo-2-fluoro-4-azaspiro[2.4]heptane.

Molecular Properties

Compound Name2-bromo-2-fluoro-4-azaspiro[2.4]heptane
PubChem CID146598189
Molecular FormulaC6H9BrFN
Molecular Weight194.05 g/mol
Exact Mass192.99
IUPAC Name2-bromo-2-fluoro-4-azaspiro[2.4]heptane
SMILESFC1(Br)CC12CCCN2
InChIInChI=1S/C6H9BrFN/c7-6(8)4-5(6)2-1-3-9-5/h9H,1-4H2
InChIKeyKOVVHPBBYWLZKF-UHFFFAOYSA-N
XLogP1.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.05
LogP ≤ 51.57
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 2-bromo-2-fluoro-4-azaspiro[2.4]heptane?
The IUPAC name of 2-bromo-2-fluoro-4-azaspiro[2.4]heptane (CID 146598189) is 2-bromo-2-fluoro-4-azaspiro[2.4]heptane.
What is the SMILES notation for 2-bromo-2-fluoro-4-azaspiro[2.4]heptane?
The canonical SMILES for 2-bromo-2-fluoro-4-azaspiro[2.4]heptane is FC1(Br)CC12CCCN2.
What is the InChIKey of 2-bromo-2-fluoro-4-azaspiro[2.4]heptane?
The InChIKey is KOVVHPBBYWLZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrFN/c7-6(8)4-5(6)2-1-3-9-5/h9H,1-4H2.
What are the key properties of 2-bromo-2-fluoro-4-azaspiro[2.4]heptane?
2-bromo-2-fluoro-4-azaspiro[2.4]heptane has a molecular weight of 194.05 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-fluoro-4-azaspiro[2.4]heptane is sourced from PubChem (CID 146598189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).