3-amino-6-fluoro-1-(thiophen-2-ylmethyl)-3H-indol-2-one

C13H11FN2OS — CID 43255133

IUPAC3-amino-6-fluoro-1-(thiophen-2-ylmethyl)-3H-indol-2-one
SMILESNC1C(=O)N(Cc2cccs2)c2cc(F)ccc21
InChIInChI=1S/C13H11FN2OS/c14-8-3-4-10-11(6-8)16(13(17)12(10)15)7-9-2-1-5-18-9/h1-6,12H,7,15H2
InChIKeyFXTBCHKOLUDPMK-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.43
Rot. Bonds2

About 3-amino-6-fluoro-1-(thiophen-2-ylmethyl)-3H-indol-2-one

3-amino-6-fluoro-1-(thiophen-2-ylmethyl)-3H-indol-2-one (PubChem CID 43255133) has the molecular formula C13H11FN2OS and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-amino-6-fluoro-1-(thiophen-2-ylmethyl)-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-6-fluoro-1-(thiophen-2-ylmethyl)-3H-indol-2-one
PubChem CID43255133
Molecular FormulaC13H11FN2OS
Molecular Weight262.31 g/mol
Exact Mass262.06
IUPAC Name3-amino-6-fluoro-1-(thiophen-2-ylmethyl)-3H-indol-2-one
SMILESNC1C(=O)N(Cc2cccs2)c2cc(F)ccc21
InChIInChI=1S/C13H11FN2OS/c14-8-3-4-10-11(6-8)16(13(17)12(10)15)7-9-2-1-5-18-9/h1-6,12H,7,15H2
InChIKeyFXTBCHKOLUDPMK-UHFFFAOYSA-N
XLogP2.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-fluoro-1-(thiophen-2-ylmethyl)-3H-indol-2-one?
The IUPAC name of 3-amino-6-fluoro-1-(thiophen-2-ylmethyl)-3H-indol-2-one (CID 43255133) is 3-amino-6-fluoro-1-(thiophen-2-ylmethyl)-3H-indol-2-one.
What is the SMILES notation for 3-amino-6-fluoro-1-(thiophen-2-ylmethyl)-3H-indol-2-one?
The canonical SMILES for 3-amino-6-fluoro-1-(thiophen-2-ylmethyl)-3H-indol-2-one is NC1C(=O)N(Cc2cccs2)c2cc(F)ccc21.
What is the InChIKey of 3-amino-6-fluoro-1-(thiophen-2-ylmethyl)-3H-indol-2-one?
The InChIKey is FXTBCHKOLUDPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2OS/c14-8-3-4-10-11(6-8)16(13(17)12(10)15)7-9-2-1-5-18-9/h1-6,12H,7,15H2.
What are the key properties of 3-amino-6-fluoro-1-(thiophen-2-ylmethyl)-3H-indol-2-one?
3-amino-6-fluoro-1-(thiophen-2-ylmethyl)-3H-indol-2-one has a molecular weight of 262.31 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-fluoro-1-(thiophen-2-ylmethyl)-3H-indol-2-one is sourced from PubChem (CID 43255133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).