5-bromo-1-(difluoromethyl)indole

C9H6BrF2N — CID 116619629

IUPAC5-bromo-1-(difluoromethyl)indole
SMILESFC(F)n1ccc2cc(Br)ccc21
InChIInChI=1S/C9H6BrF2N/c10-7-1-2-8-6(5-7)3-4-13(8)9(11)12/h1-5,9H
InChIKeyRAYNMWDBGPEOCC-UHFFFAOYSA-N
MW246.05 g/mol
LogP3.80
Rot. Bonds1

About 5-bromo-1-(difluoromethyl)indole

5-bromo-1-(difluoromethyl)indole (PubChem CID 116619629) has the molecular formula C9H6BrF2N and a molecular weight of 246.05 g/mol. Its IUPAC name is 5-bromo-1-(difluoromethyl)indole.

Molecular Properties

Compound Name5-bromo-1-(difluoromethyl)indole
PubChem CID116619629
Molecular FormulaC9H6BrF2N
Molecular Weight246.05 g/mol
Exact Mass244.97
IUPAC Name5-bromo-1-(difluoromethyl)indole
SMILESFC(F)n1ccc2cc(Br)ccc21
InChIInChI=1S/C9H6BrF2N/c10-7-1-2-8-6(5-7)3-4-13(8)9(11)12/h1-5,9H
InChIKeyRAYNMWDBGPEOCC-UHFFFAOYSA-N
XLogP3.80
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.05
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(difluoromethyl)indole?
The IUPAC name of 5-bromo-1-(difluoromethyl)indole (CID 116619629) is 5-bromo-1-(difluoromethyl)indole.
What is the SMILES notation for 5-bromo-1-(difluoromethyl)indole?
The canonical SMILES for 5-bromo-1-(difluoromethyl)indole is FC(F)n1ccc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-(difluoromethyl)indole?
The InChIKey is RAYNMWDBGPEOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF2N/c10-7-1-2-8-6(5-7)3-4-13(8)9(11)12/h1-5,9H.
What are the key properties of 5-bromo-1-(difluoromethyl)indole?
5-bromo-1-(difluoromethyl)indole has a molecular weight of 246.05 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(difluoromethyl)indole is sourced from PubChem (CID 116619629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).