2-(3-bromo-2-fluorophenyl)-2,6-diazaspiro[3.3]heptane

C11H12BrFN2 — CID 170087959

IUPAC2-(3-bromo-2-fluorophenyl)-2,6-diazaspiro[3.3]heptane
SMILESFc1c(Br)cccc1N1CC2(CNC2)C1
InChIInChI=1S/C11H12BrFN2/c12-8-2-1-3-9(10(8)13)15-6-11(7-15)4-14-5-11/h1-3,14H,4-7H2
InChIKeyJXDAWGSSXVFZIX-UHFFFAOYSA-N
MW271.13 g/mol
LogP2.00
Rot. Bonds1

About 2-(3-bromo-2-fluorophenyl)-2,6-diazaspiro[3.3]heptane

2-(3-bromo-2-fluorophenyl)-2,6-diazaspiro[3.3]heptane (PubChem CID 170087959) has the molecular formula C11H12BrFN2 and a molecular weight of 271.13 g/mol. Its IUPAC name is 2-(3-bromo-2-fluorophenyl)-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-(3-bromo-2-fluorophenyl)-2,6-diazaspiro[3.3]heptane
PubChem CID170087959
Molecular FormulaC11H12BrFN2
Molecular Weight271.13 g/mol
Exact Mass270.02
IUPAC Name2-(3-bromo-2-fluorophenyl)-2,6-diazaspiro[3.3]heptane
SMILESFc1c(Br)cccc1N1CC2(CNC2)C1
InChIInChI=1S/C11H12BrFN2/c12-8-2-1-3-9(10(8)13)15-6-11(7-15)4-14-5-11/h1-3,14H,4-7H2
InChIKeyJXDAWGSSXVFZIX-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.13
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromo-2-fluorophenyl)-2,6-diazaspiro[3.3]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluorophenyl)-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-(3-bromo-2-fluorophenyl)-2,6-diazaspiro[3.3]heptane (CID 170087959) is 2-(3-bromo-2-fluorophenyl)-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-(3-bromo-2-fluorophenyl)-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-(3-bromo-2-fluorophenyl)-2,6-diazaspiro[3.3]heptane is Fc1c(Br)cccc1N1CC2(CNC2)C1.
What is the InChIKey of 2-(3-bromo-2-fluorophenyl)-2,6-diazaspiro[3.3]heptane?
The InChIKey is JXDAWGSSXVFZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2/c12-8-2-1-3-9(10(8)13)15-6-11(7-15)4-14-5-11/h1-3,14H,4-7H2.
What are the key properties of 2-(3-bromo-2-fluorophenyl)-2,6-diazaspiro[3.3]heptane?
2-(3-bromo-2-fluorophenyl)-2,6-diazaspiro[3.3]heptane has a molecular weight of 271.13 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluorophenyl)-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 170087959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).