5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,3,3,3-pentafluoropropyl]-1H-indole

C19H11Br2F5N2 — CID 155524574

IUPAC5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,3,3,3-pentafluoropropyl]-1H-indole
SMILESFC(F)(F)C(F)(F)C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C19H11Br2F5N2/c20-9-1-3-15-11(5-9)13(7-27-15)17(18(22,23)19(24,25)26)14-8-28-16-4-2-10(21)6-12(14)16/h1-8,17,27-28H
InChIKeyQEZRYQKCVRQHNQ-UHFFFAOYSA-N
MW522.11 g/mol
LogP7.50
Rot. Bonds3

About 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,3,3,3-pentafluoropropyl]-1H-indole

5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,3,3,3-pentafluoropropyl]-1H-indole (PubChem CID 155524574) has the molecular formula C19H11Br2F5N2 and a molecular weight of 522.11 g/mol. Its IUPAC name is 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,3,3,3-pentafluoropropyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,3,3,3-pentafluoropropyl]-1H-indole
PubChem CID155524574
Molecular FormulaC19H11Br2F5N2
Molecular Weight522.11 g/mol
Exact Mass519.92
IUPAC Name5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,3,3,3-pentafluoropropyl]-1H-indole
SMILESFC(F)(F)C(F)(F)C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C19H11Br2F5N2/c20-9-1-3-15-11(5-9)13(7-27-15)17(18(22,23)19(24,25)26)14-8-28-16-4-2-10(21)6-12(14)16/h1-8,17,27-28H
InChIKeyQEZRYQKCVRQHNQ-UHFFFAOYSA-N
XLogP7.50
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.11
LogP ≤ 57.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,3,3,3-pentafluoropropyl]-1H-indole?
The IUPAC name of 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,3,3,3-pentafluoropropyl]-1H-indole (CID 155524574) is 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,3,3,3-pentafluoropropyl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,3,3,3-pentafluoropropyl]-1H-indole?
The canonical SMILES for 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,3,3,3-pentafluoropropyl]-1H-indole is FC(F)(F)C(F)(F)C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,3,3,3-pentafluoropropyl]-1H-indole?
The InChIKey is QEZRYQKCVRQHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Br2F5N2/c20-9-1-3-15-11(5-9)13(7-27-15)17(18(22,23)19(24,25)26)14-8-28-16-4-2-10(21)6-12(14)16/h1-8,17,27-28H.
What are the key properties of 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,3,3,3-pentafluoropropyl]-1H-indole?
5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,3,3,3-pentafluoropropyl]-1H-indole has a molecular weight of 522.11 g/mol, XLogP of 7.50, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[1-(5-bromo-1H-indol-3-yl)-2,2,3,3,3-pentafluoropropyl]-1H-indole is sourced from PubChem (CID 155524574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).