3-(2,3-dihydroindol-1-yl)-6-fluorothiochromen-4-one

C17H12FNOS — CID 7490272

IUPAC3-(2,3-dihydroindol-1-yl)-6-fluorothiochromen-4-one
SMILESO=c1c(N2CCc3ccccc32)csc2ccc(F)cc12
InChIInChI=1S/C17H12FNOS/c18-12-5-6-16-13(9-12)17(20)15(10-21-16)19-8-7-11-3-1-2-4-14(11)19/h1-6,9-10H,7-8H2
InChIKeyHTLTZNKTTQAKQA-UHFFFAOYSA-N
MW297.35 g/mol
LogP4.09
Rot. Bonds1

About 3-(2,3-dihydroindol-1-yl)-6-fluorothiochromen-4-one

3-(2,3-dihydroindol-1-yl)-6-fluorothiochromen-4-one (PubChem CID 7490272) has the molecular formula C17H12FNOS and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-6-fluorothiochromen-4-one.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-6-fluorothiochromen-4-one
PubChem CID7490272
Molecular FormulaC17H12FNOS
Molecular Weight297.35 g/mol
Exact Mass297.06
IUPAC Name3-(2,3-dihydroindol-1-yl)-6-fluorothiochromen-4-one
SMILESO=c1c(N2CCc3ccccc32)csc2ccc(F)cc12
InChIInChI=1S/C17H12FNOS/c18-12-5-6-16-13(9-12)17(20)15(10-21-16)19-8-7-11-3-1-2-4-14(11)19/h1-6,9-10H,7-8H2
InChIKeyHTLTZNKTTQAKQA-UHFFFAOYSA-N
XLogP4.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-6-fluorothiochromen-4-one?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-6-fluorothiochromen-4-one (CID 7490272) is 3-(2,3-dihydroindol-1-yl)-6-fluorothiochromen-4-one.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-6-fluorothiochromen-4-one?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-6-fluorothiochromen-4-one is O=c1c(N2CCc3ccccc32)csc2ccc(F)cc12.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-6-fluorothiochromen-4-one?
The InChIKey is HTLTZNKTTQAKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNOS/c18-12-5-6-16-13(9-12)17(20)15(10-21-16)19-8-7-11-3-1-2-4-14(11)19/h1-6,9-10H,7-8H2.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-6-fluorothiochromen-4-one?
3-(2,3-dihydroindol-1-yl)-6-fluorothiochromen-4-one has a molecular weight of 297.35 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-6-fluorothiochromen-4-one is sourced from PubChem (CID 7490272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).