1-(4-fluoro-2,3-dihydroindol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone

C16H12F4N2O — CID 141312667

IUPAC1-(4-fluoro-2,3-dihydroindol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cccc(C(F)(F)F)n1)N1CCc2c(F)cccc21
InChIInChI=1S/C16H12F4N2O/c17-12-4-2-5-13-11(12)7-8-22(13)15(23)9-10-3-1-6-14(21-10)16(18,19)20/h1-6H,7-9H2
InChIKeyDSLIZZDDNNJEJF-UHFFFAOYSA-N
MW324.28 g/mol
LogP3.37
Rot. Bonds2

About 1-(4-fluoro-2,3-dihydroindol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone

1-(4-fluoro-2,3-dihydroindol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 141312667) has the molecular formula C16H12F4N2O and a molecular weight of 324.28 g/mol. Its IUPAC name is 1-(4-fluoro-2,3-dihydroindol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(4-fluoro-2,3-dihydroindol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID141312667
Molecular FormulaC16H12F4N2O
Molecular Weight324.28 g/mol
Exact Mass324.09
IUPAC Name1-(4-fluoro-2,3-dihydroindol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cccc(C(F)(F)F)n1)N1CCc2c(F)cccc21
InChIInChI=1S/C16H12F4N2O/c17-12-4-2-5-13-11(12)7-8-22(13)15(23)9-10-3-1-6-14(21-10)16(18,19)20/h1-6H,7-9H2
InChIKeyDSLIZZDDNNJEJF-UHFFFAOYSA-N
XLogP3.37
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,3-dihydroindol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-(4-fluoro-2,3-dihydroindol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone (CID 141312667) is 1-(4-fluoro-2,3-dihydroindol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-(4-fluoro-2,3-dihydroindol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-(4-fluoro-2,3-dihydroindol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone is O=C(Cc1cccc(C(F)(F)F)n1)N1CCc2c(F)cccc21.
What is the InChIKey of 1-(4-fluoro-2,3-dihydroindol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is DSLIZZDDNNJEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N2O/c17-12-4-2-5-13-11(12)7-8-22(13)15(23)9-10-3-1-6-14(21-10)16(18,19)20/h1-6H,7-9H2.
What are the key properties of 1-(4-fluoro-2,3-dihydroindol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
1-(4-fluoro-2,3-dihydroindol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 324.28 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2,3-dihydroindol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 141312667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).