6-fluoro-3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]thiochromen-4-one

C18H14FNOS — CID 7490271

IUPAC6-fluoro-3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]thiochromen-4-one
SMILESC[C@H]1Cc2ccccc2N1c1csc2ccc(F)cc2c1=O
InChIInChI=1S/C18H14FNOS/c1-11-8-12-4-2-3-5-15(12)20(11)16-10-22-17-7-6-13(19)9-14(17)18(16)21/h2-7,9-11H,8H2,1H3/t11-/m0/s1
InChIKeyNKVJAOHBOHMYLJ-NSHDSACASA-N
MW311.38 g/mol
LogP4.48
Rot. Bonds1

About 6-fluoro-3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]thiochromen-4-one

6-fluoro-3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]thiochromen-4-one (PubChem CID 7490271) has the molecular formula C18H14FNOS and a molecular weight of 311.38 g/mol. Its IUPAC name is 6-fluoro-3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]thiochromen-4-one.

Molecular Properties

Compound Name6-fluoro-3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]thiochromen-4-one
PubChem CID7490271
Molecular FormulaC18H14FNOS
Molecular Weight311.38 g/mol
Exact Mass311.08
IUPAC Name6-fluoro-3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]thiochromen-4-one
SMILESC[C@H]1Cc2ccccc2N1c1csc2ccc(F)cc2c1=O
InChIInChI=1S/C18H14FNOS/c1-11-8-12-4-2-3-5-15(12)20(11)16-10-22-17-7-6-13(19)9-14(17)18(16)21/h2-7,9-11H,8H2,1H3/t11-/m0/s1
InChIKeyNKVJAOHBOHMYLJ-NSHDSACASA-N
XLogP4.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]thiochromen-4-one?
The IUPAC name of 6-fluoro-3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]thiochromen-4-one (CID 7490271) is 6-fluoro-3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]thiochromen-4-one.
What is the SMILES notation for 6-fluoro-3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]thiochromen-4-one?
The canonical SMILES for 6-fluoro-3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]thiochromen-4-one is C[C@H]1Cc2ccccc2N1c1csc2ccc(F)cc2c1=O.
What is the InChIKey of 6-fluoro-3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]thiochromen-4-one?
The InChIKey is NKVJAOHBOHMYLJ-NSHDSACASA-N. The full InChI is InChI=1S/C18H14FNOS/c1-11-8-12-4-2-3-5-15(12)20(11)16-10-22-17-7-6-13(19)9-14(17)18(16)21/h2-7,9-11H,8H2,1H3/t11-/m0/s1.
What are the key properties of 6-fluoro-3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]thiochromen-4-one?
6-fluoro-3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]thiochromen-4-one has a molecular weight of 311.38 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]thiochromen-4-one is sourced from PubChem (CID 7490271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).