4-bromo-2-iodo-1-(1,2,2-trifluoroethyl)indole

C10H6BrF3IN — CID 175555491

IUPAC4-bromo-2-iodo-1-(1,2,2-trifluoroethyl)indole
SMILESFC(F)C(F)n1c(I)cc2c(Br)cccc21
InChIInChI=1S/C10H6BrF3IN/c11-6-2-1-3-7-5(6)4-8(15)16(7)10(14)9(12)13/h1-4,9-10H
InChIKeyYGFBTAYIWWVJFC-UHFFFAOYSA-N
MW403.97 g/mol
LogP4.74
Rot. Bonds2

About 4-bromo-2-iodo-1-(1,2,2-trifluoroethyl)indole

4-bromo-2-iodo-1-(1,2,2-trifluoroethyl)indole (PubChem CID 175555491) has the molecular formula C10H6BrF3IN and a molecular weight of 403.97 g/mol. Its IUPAC name is 4-bromo-2-iodo-1-(1,2,2-trifluoroethyl)indole.

Molecular Properties

Compound Name4-bromo-2-iodo-1-(1,2,2-trifluoroethyl)indole
PubChem CID175555491
Molecular FormulaC10H6BrF3IN
Molecular Weight403.97 g/mol
Exact Mass402.87
IUPAC Name4-bromo-2-iodo-1-(1,2,2-trifluoroethyl)indole
SMILESFC(F)C(F)n1c(I)cc2c(Br)cccc21
InChIInChI=1S/C10H6BrF3IN/c11-6-2-1-3-7-5(6)4-8(15)16(7)10(14)9(12)13/h1-4,9-10H
InChIKeyYGFBTAYIWWVJFC-UHFFFAOYSA-N
XLogP4.74
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.97
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-iodo-1-(1,2,2-trifluoroethyl)indole?
The IUPAC name of 4-bromo-2-iodo-1-(1,2,2-trifluoroethyl)indole (CID 175555491) is 4-bromo-2-iodo-1-(1,2,2-trifluoroethyl)indole.
What is the SMILES notation for 4-bromo-2-iodo-1-(1,2,2-trifluoroethyl)indole?
The canonical SMILES for 4-bromo-2-iodo-1-(1,2,2-trifluoroethyl)indole is FC(F)C(F)n1c(I)cc2c(Br)cccc21.
What is the InChIKey of 4-bromo-2-iodo-1-(1,2,2-trifluoroethyl)indole?
The InChIKey is YGFBTAYIWWVJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3IN/c11-6-2-1-3-7-5(6)4-8(15)16(7)10(14)9(12)13/h1-4,9-10H.
What are the key properties of 4-bromo-2-iodo-1-(1,2,2-trifluoroethyl)indole?
4-bromo-2-iodo-1-(1,2,2-trifluoroethyl)indole has a molecular weight of 403.97 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-iodo-1-(1,2,2-trifluoroethyl)indole is sourced from PubChem (CID 175555491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).