4-bromo-2-(trifluoromethyl)-1H-indole

C9H5BrF3N — CID 53402593

IUPAC4-bromo-2-(trifluoromethyl)-1H-indole
SMILESFC(F)(F)c1cc2c(Br)cccc2[nH]1
InChIInChI=1S/C9H5BrF3N/c10-6-2-1-3-7-5(6)4-8(14-7)9(11,12)13/h1-4,14H
InChIKeyBALLXZBCVCULJE-UHFFFAOYSA-N
MW264.04 g/mol
LogP3.95
Rot. Bonds

About 4-bromo-2-(trifluoromethyl)-1H-indole

4-bromo-2-(trifluoromethyl)-1H-indole (PubChem CID 53402593) has the molecular formula C9H5BrF3N and a molecular weight of 264.04 g/mol. Its IUPAC name is 4-bromo-2-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name4-bromo-2-(trifluoromethyl)-1H-indole
PubChem CID53402593
Molecular FormulaC9H5BrF3N
Molecular Weight264.04 g/mol
Exact Mass262.96
IUPAC Name4-bromo-2-(trifluoromethyl)-1H-indole
SMILESFC(F)(F)c1cc2c(Br)cccc2[nH]1
InChIInChI=1S/C9H5BrF3N/c10-6-2-1-3-7-5(6)4-8(14-7)9(11,12)13/h1-4,14H
InChIKeyBALLXZBCVCULJE-UHFFFAOYSA-N
XLogP3.95
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.04
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(trifluoromethyl)-1H-indole?
The IUPAC name of 4-bromo-2-(trifluoromethyl)-1H-indole (CID 53402593) is 4-bromo-2-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 4-bromo-2-(trifluoromethyl)-1H-indole?
The canonical SMILES for 4-bromo-2-(trifluoromethyl)-1H-indole is FC(F)(F)c1cc2c(Br)cccc2[nH]1.
What is the InChIKey of 4-bromo-2-(trifluoromethyl)-1H-indole?
The InChIKey is BALLXZBCVCULJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF3N/c10-6-2-1-3-7-5(6)4-8(14-7)9(11,12)13/h1-4,14H.
What are the key properties of 4-bromo-2-(trifluoromethyl)-1H-indole?
4-bromo-2-(trifluoromethyl)-1H-indole has a molecular weight of 264.04 g/mol, XLogP of 3.95, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 53402593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).