7-fluoro-5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydroindol-2-one

C14H12FNO2S — CID 82173542

IUPAC7-fluoro-5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)Cc3cccs3)cc(F)c2N1
InChIInChI=1S/C14H12FNO2S/c15-11-5-8(4-9-6-13(18)16-14(9)11)12(17)7-10-2-1-3-19-10/h1-5,12,17H,6-7H2,(H,16,18)
InChIKeyBYZKNDPJPXJIAC-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.66
Rot. Bonds3

About 7-fluoro-5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydroindol-2-one

7-fluoro-5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydroindol-2-one (PubChem CID 82173542) has the molecular formula C14H12FNO2S and a molecular weight of 277.32 g/mol. Its IUPAC name is 7-fluoro-5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-fluoro-5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydroindol-2-one
PubChem CID82173542
Molecular FormulaC14H12FNO2S
Molecular Weight277.32 g/mol
Exact Mass277.06
IUPAC Name7-fluoro-5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)Cc3cccs3)cc(F)c2N1
InChIInChI=1S/C14H12FNO2S/c15-11-5-8(4-9-6-13(18)16-14(9)11)12(17)7-10-2-1-3-19-10/h1-5,12,17H,6-7H2,(H,16,18)
InChIKeyBYZKNDPJPXJIAC-UHFFFAOYSA-N
XLogP2.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 7-fluoro-5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydroindol-2-one (CID 82173542) is 7-fluoro-5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-fluoro-5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 7-fluoro-5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(C(O)Cc3cccs3)cc(F)c2N1.
What is the InChIKey of 7-fluoro-5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydroindol-2-one?
The InChIKey is BYZKNDPJPXJIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2S/c15-11-5-8(4-9-6-13(18)16-14(9)11)12(17)7-10-2-1-3-19-10/h1-5,12,17H,6-7H2,(H,16,18).
What are the key properties of 7-fluoro-5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydroindol-2-one?
7-fluoro-5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydroindol-2-one has a molecular weight of 277.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).