5-bromo-5-fluoroindole

C8H5BrFN — CID 123141869

IUPAC5-bromo-5-fluoroindole
SMILESFC1(Br)C=CC2=NC=CC2=C1
InChIInChI=1S/C8H5BrFN/c9-8(10)3-1-7-6(5-8)2-4-11-7/h1-5H
InChIKeyUMFNXIJKXSBSEG-UHFFFAOYSA-N
MW214.04 g/mol
LogP2.51
Rot. Bonds

About 5-bromo-5-fluoroindole

5-bromo-5-fluoroindole (PubChem CID 123141869) has the molecular formula C8H5BrFN and a molecular weight of 214.04 g/mol. Its IUPAC name is 5-bromo-5-fluoroindole.

Molecular Properties

Compound Name5-bromo-5-fluoroindole
PubChem CID123141869
Molecular FormulaC8H5BrFN
Molecular Weight214.04 g/mol
Exact Mass212.96
IUPAC Name5-bromo-5-fluoroindole
SMILESFC1(Br)C=CC2=NC=CC2=C1
InChIInChI=1S/C8H5BrFN/c9-8(10)3-1-7-6(5-8)2-4-11-7/h1-5H
InChIKeyUMFNXIJKXSBSEG-UHFFFAOYSA-N
XLogP2.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.04
LogP ≤ 52.51
H-Bond Donors ≤ 50
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 5-bromo-5-fluoroindole?
The IUPAC name of 5-bromo-5-fluoroindole (CID 123141869) is 5-bromo-5-fluoroindole.
What is the SMILES notation for 5-bromo-5-fluoroindole?
The canonical SMILES for 5-bromo-5-fluoroindole is FC1(Br)C=CC2=NC=CC2=C1.
What is the InChIKey of 5-bromo-5-fluoroindole?
The InChIKey is UMFNXIJKXSBSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFN/c9-8(10)3-1-7-6(5-8)2-4-11-7/h1-5H.
What are the key properties of 5-bromo-5-fluoroindole?
5-bromo-5-fluoroindole has a molecular weight of 214.04 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-5-fluoroindole is sourced from PubChem (CID 123141869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).