1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]ethanone

C19H15F3N2O — CID 58433063

IUPAC1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2CC1C1=Nc2cc(C(F)(F)F)ccc2C1
InChIInChI=1S/C19H15F3N2O/c1-11(25)24-17-5-3-2-4-13(17)9-18(24)16-8-12-6-7-14(19(20,21)22)10-15(12)23-16/h2-7,10,18H,8-9H2,1H3
InChIKeyBHDLMVPDHYNVLF-UHFFFAOYSA-N
MW344.34 g/mol
LogP4.31
Rot. Bonds1

About 1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]ethanone

1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 58433063) has the molecular formula C19H15F3N2O and a molecular weight of 344.34 g/mol. Its IUPAC name is 1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID58433063
Molecular FormulaC19H15F3N2O
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC Name1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2CC1C1=Nc2cc(C(F)(F)F)ccc2C1
InChIInChI=1S/C19H15F3N2O/c1-11(25)24-17-5-3-2-4-13(17)9-18(24)16-8-12-6-7-14(19(20,21)22)10-15(12)23-16/h2-7,10,18H,8-9H2,1H3
InChIKeyBHDLMVPDHYNVLF-UHFFFAOYSA-N
XLogP4.31
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]ethanone (CID 58433063) is 1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1c2ccccc2CC1C1=Nc2cc(C(F)(F)F)ccc2C1.
What is the InChIKey of 1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is BHDLMVPDHYNVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O/c1-11(25)24-17-5-3-2-4-13(17)9-18(24)16-8-12-6-7-14(19(20,21)22)10-15(12)23-16/h2-7,10,18H,8-9H2,1H3.
What are the key properties of 1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]ethanone?
1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 344.34 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(trifluoromethyl)-3H-indol-2-yl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 58433063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).