5-methoxy-3-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1H-indole

C19H15F3N2O — CID 78320889

IUPAC5-methoxy-3-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1H-indole
SMILESCOc1ccc2[nH]cc(C(c3c[nH]c4ccccc34)C(F)(F)F)c2c1
InChIInChI=1S/C19H15F3N2O/c1-25-11-6-7-17-13(8-11)15(10-24-17)18(19(20,21)22)14-9-23-16-5-3-2-4-12(14)16/h2-10,18,23-24H,1H3
InChIKeyZGTGKQLLGMGKPJ-UHFFFAOYSA-N
MW344.34 g/mol
LogP5.35
Rot. Bonds3

About 5-methoxy-3-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1H-indole

5-methoxy-3-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1H-indole (PubChem CID 78320889) has the molecular formula C19H15F3N2O and a molecular weight of 344.34 g/mol. Its IUPAC name is 5-methoxy-3-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1H-indole
PubChem CID78320889
Molecular FormulaC19H15F3N2O
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC Name5-methoxy-3-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1H-indole
SMILESCOc1ccc2[nH]cc(C(c3c[nH]c4ccccc34)C(F)(F)F)c2c1
InChIInChI=1S/C19H15F3N2O/c1-25-11-6-7-17-13(8-11)15(10-24-17)18(19(20,21)22)14-9-23-16-5-3-2-4-12(14)16/h2-10,18,23-24H,1H3
InChIKeyZGTGKQLLGMGKPJ-UHFFFAOYSA-N
XLogP5.35
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.34
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1H-indole?
The IUPAC name of 5-methoxy-3-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1H-indole (CID 78320889) is 5-methoxy-3-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1H-indole.
What is the SMILES notation for 5-methoxy-3-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1H-indole?
The canonical SMILES for 5-methoxy-3-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1H-indole is COc1ccc2[nH]cc(C(c3c[nH]c4ccccc34)C(F)(F)F)c2c1.
What is the InChIKey of 5-methoxy-3-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1H-indole?
The InChIKey is ZGTGKQLLGMGKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O/c1-25-11-6-7-17-13(8-11)15(10-24-17)18(19(20,21)22)14-9-23-16-5-3-2-4-12(14)16/h2-10,18,23-24H,1H3.
What are the key properties of 5-methoxy-3-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1H-indole?
5-methoxy-3-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1H-indole has a molecular weight of 344.34 g/mol, XLogP of 5.35, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1H-indole is sourced from PubChem (CID 78320889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).