5-fluoro-7-[hydroxy(thiophen-2-yl)methyl]-1,3-dihydroindol-2-one

C13H10FNO2S — CID 82173214

IUPAC5-fluoro-7-[hydroxy(thiophen-2-yl)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(F)cc(C(O)c3cccs3)c2N1
InChIInChI=1S/C13H10FNO2S/c14-8-4-7-5-11(16)15-12(7)9(6-8)13(17)10-2-1-3-18-10/h1-4,6,13,17H,5H2,(H,15,16)
InChIKeyWUNFGTJSZWJMMO-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.46
Rot. Bonds2

About 5-fluoro-7-[hydroxy(thiophen-2-yl)methyl]-1,3-dihydroindol-2-one

5-fluoro-7-[hydroxy(thiophen-2-yl)methyl]-1,3-dihydroindol-2-one (PubChem CID 82173214) has the molecular formula C13H10FNO2S and a molecular weight of 263.29 g/mol. Its IUPAC name is 5-fluoro-7-[hydroxy(thiophen-2-yl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-7-[hydroxy(thiophen-2-yl)methyl]-1,3-dihydroindol-2-one
PubChem CID82173214
Molecular FormulaC13H10FNO2S
Molecular Weight263.29 g/mol
Exact Mass263.04
IUPAC Name5-fluoro-7-[hydroxy(thiophen-2-yl)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(F)cc(C(O)c3cccs3)c2N1
InChIInChI=1S/C13H10FNO2S/c14-8-4-7-5-11(16)15-12(7)9(6-8)13(17)10-2-1-3-18-10/h1-4,6,13,17H,5H2,(H,15,16)
InChIKeyWUNFGTJSZWJMMO-UHFFFAOYSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-[hydroxy(thiophen-2-yl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-7-[hydroxy(thiophen-2-yl)methyl]-1,3-dihydroindol-2-one (CID 82173214) is 5-fluoro-7-[hydroxy(thiophen-2-yl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-7-[hydroxy(thiophen-2-yl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-7-[hydroxy(thiophen-2-yl)methyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(F)cc(C(O)c3cccs3)c2N1.
What is the InChIKey of 5-fluoro-7-[hydroxy(thiophen-2-yl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is WUNFGTJSZWJMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2S/c14-8-4-7-5-11(16)15-12(7)9(6-8)13(17)10-2-1-3-18-10/h1-4,6,13,17H,5H2,(H,15,16).
What are the key properties of 5-fluoro-7-[hydroxy(thiophen-2-yl)methyl]-1,3-dihydroindol-2-one?
5-fluoro-7-[hydroxy(thiophen-2-yl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 263.29 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-[hydroxy(thiophen-2-yl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).