2,2,2-trifluoro-1-[2-[3-(2,2,2-trifluoroacetyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanone

C20H10F6N2O2 — CID 4112226

IUPAC2,2,2-trifluoro-1-[2-[3-(2,2,2-trifluoroacetyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanone
SMILESO=C(c1c(-c2[nH]c3ccccc3c2C(=O)C(F)(F)F)[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C20H10F6N2O2/c21-19(22,23)17(29)13-9-5-1-3-7-11(9)27-15(13)16-14(18(30)20(24,25)26)10-6-2-4-8-12(10)28-16/h1-8,27-28H
InChIKeyVWPPMNCTBLESKP-UHFFFAOYSA-N
MW424.30 g/mol
LogP5.81
Rot. Bonds3

About 2,2,2-trifluoro-1-[2-[3-(2,2,2-trifluoroacetyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanone

2,2,2-trifluoro-1-[2-[3-(2,2,2-trifluoroacetyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanone (PubChem CID 4112226) has the molecular formula C20H10F6N2O2 and a molecular weight of 424.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-[3-(2,2,2-trifluoroacetyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-[3-(2,2,2-trifluoroacetyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanone
PubChem CID4112226
Molecular FormulaC20H10F6N2O2
Molecular Weight424.30 g/mol
Exact Mass424.06
IUPAC Name2,2,2-trifluoro-1-[2-[3-(2,2,2-trifluoroacetyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanone
SMILESO=C(c1c(-c2[nH]c3ccccc3c2C(=O)C(F)(F)F)[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C20H10F6N2O2/c21-19(22,23)17(29)13-9-5-1-3-7-11(9)27-15(13)16-14(18(30)20(24,25)26)10-6-2-4-8-12(10)28-16/h1-8,27-28H
InChIKeyVWPPMNCTBLESKP-UHFFFAOYSA-N
XLogP5.81
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.30
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-[3-(2,2,2-trifluoroacetyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-[3-(2,2,2-trifluoroacetyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanone (CID 4112226) is 2,2,2-trifluoro-1-[2-[3-(2,2,2-trifluoroacetyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-[3-(2,2,2-trifluoroacetyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-[3-(2,2,2-trifluoroacetyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanone is O=C(c1c(-c2[nH]c3ccccc3c2C(=O)C(F)(F)F)[nH]c2ccccc12)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[2-[3-(2,2,2-trifluoroacetyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanone?
The InChIKey is VWPPMNCTBLESKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F6N2O2/c21-19(22,23)17(29)13-9-5-1-3-7-11(9)27-15(13)16-14(18(30)20(24,25)26)10-6-2-4-8-12(10)28-16/h1-8,27-28H.
What are the key properties of 2,2,2-trifluoro-1-[2-[3-(2,2,2-trifluoroacetyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanone?
2,2,2-trifluoro-1-[2-[3-(2,2,2-trifluoroacetyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanone has a molecular weight of 424.30 g/mol, XLogP of 5.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-[3-(2,2,2-trifluoroacetyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanone is sourced from PubChem (CID 4112226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).