6-bromo-4-(difluoromethyl)-1H-indole

C9H6BrF2N — CID 166541112

IUPAC6-bromo-4-(difluoromethyl)-1H-indole
SMILESFC(F)c1cc(Br)cc2[nH]ccc12
InChIInChI=1S/C9H6BrF2N/c10-5-3-7(9(11)12)6-1-2-13-8(6)4-5/h1-4,9,13H
InChIKeyACCREJABTPZKHJ-UHFFFAOYSA-N
MW246.05 g/mol
LogP3.87
Rot. Bonds1

About 6-bromo-4-(difluoromethyl)-1H-indole

6-bromo-4-(difluoromethyl)-1H-indole (PubChem CID 166541112) has the molecular formula C9H6BrF2N and a molecular weight of 246.05 g/mol. Its IUPAC name is 6-bromo-4-(difluoromethyl)-1H-indole.

Molecular Properties

Compound Name6-bromo-4-(difluoromethyl)-1H-indole
PubChem CID166541112
Molecular FormulaC9H6BrF2N
Molecular Weight246.05 g/mol
Exact Mass244.97
IUPAC Name6-bromo-4-(difluoromethyl)-1H-indole
SMILESFC(F)c1cc(Br)cc2[nH]ccc12
InChIInChI=1S/C9H6BrF2N/c10-5-3-7(9(11)12)6-1-2-13-8(6)4-5/h1-4,9,13H
InChIKeyACCREJABTPZKHJ-UHFFFAOYSA-N
XLogP3.87
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.05
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(difluoromethyl)-1H-indole?
The IUPAC name of 6-bromo-4-(difluoromethyl)-1H-indole (CID 166541112) is 6-bromo-4-(difluoromethyl)-1H-indole.
What is the SMILES notation for 6-bromo-4-(difluoromethyl)-1H-indole?
The canonical SMILES for 6-bromo-4-(difluoromethyl)-1H-indole is FC(F)c1cc(Br)cc2[nH]ccc12.
What is the InChIKey of 6-bromo-4-(difluoromethyl)-1H-indole?
The InChIKey is ACCREJABTPZKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF2N/c10-5-3-7(9(11)12)6-1-2-13-8(6)4-5/h1-4,9,13H.
What are the key properties of 6-bromo-4-(difluoromethyl)-1H-indole?
6-bromo-4-(difluoromethyl)-1H-indole has a molecular weight of 246.05 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(difluoromethyl)-1H-indole is sourced from PubChem (CID 166541112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).