6-bromo-6-fluoro-3-azabicyclo[3.1.0]hexane

C5H7BrFN — CID 178038038

IUPAC6-bromo-6-fluoro-3-azabicyclo[3.1.0]hexane
SMILESFC1(Br)C2CNCC21
InChIInChI=1S/C5H7BrFN/c6-5(7)3-1-8-2-4(3)5/h3-4,8H,1-2H2
InChIKeyHIVVWWCUFOMJLC-UHFFFAOYSA-N
MW180.02 g/mol
LogP0.90
Rot. Bonds

About 6-bromo-6-fluoro-3-azabicyclo[3.1.0]hexane

6-bromo-6-fluoro-3-azabicyclo[3.1.0]hexane (PubChem CID 178038038) has the molecular formula C5H7BrFN and a molecular weight of 180.02 g/mol. Its IUPAC name is 6-bromo-6-fluoro-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-bromo-6-fluoro-3-azabicyclo[3.1.0]hexane
PubChem CID178038038
Molecular FormulaC5H7BrFN
Molecular Weight180.02 g/mol
Exact Mass178.97
IUPAC Name6-bromo-6-fluoro-3-azabicyclo[3.1.0]hexane
SMILESFC1(Br)C2CNCC21
InChIInChI=1S/C5H7BrFN/c6-5(7)3-1-8-2-4(3)5/h3-4,8H,1-2H2
InChIKeyHIVVWWCUFOMJLC-UHFFFAOYSA-N
XLogP0.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.02
LogP ≤ 50.90
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 6-bromo-6-fluoro-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-bromo-6-fluoro-3-azabicyclo[3.1.0]hexane (CID 178038038) is 6-bromo-6-fluoro-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-bromo-6-fluoro-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-bromo-6-fluoro-3-azabicyclo[3.1.0]hexane is FC1(Br)C2CNCC21.
What is the InChIKey of 6-bromo-6-fluoro-3-azabicyclo[3.1.0]hexane?
The InChIKey is HIVVWWCUFOMJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrFN/c6-5(7)3-1-8-2-4(3)5/h3-4,8H,1-2H2.
What are the key properties of 6-bromo-6-fluoro-3-azabicyclo[3.1.0]hexane?
6-bromo-6-fluoro-3-azabicyclo[3.1.0]hexane has a molecular weight of 180.02 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-6-fluoro-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 178038038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).