4,5,6-trifluoro-3-hydroxy-1,3-dihydroindol-2-one

C8H4F3NO2 — CID 62813445

IUPAC4,5,6-trifluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)c(F)c(F)c2C1O
InChIInChI=1S/C8H4F3NO2/c9-2-1-3-4(6(11)5(2)10)7(13)8(14)12-3/h1,7,13H,(H,12,14)
InChIKeyUVGRHRHYXQWDMX-UHFFFAOYSA-N
MW203.12 g/mol
LogP1.09
Rot. Bonds

About 4,5,6-trifluoro-3-hydroxy-1,3-dihydroindol-2-one

4,5,6-trifluoro-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 62813445) has the molecular formula C8H4F3NO2 and a molecular weight of 203.12 g/mol. Its IUPAC name is 4,5,6-trifluoro-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4,5,6-trifluoro-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID62813445
Molecular FormulaC8H4F3NO2
Molecular Weight203.12 g/mol
Exact Mass203.02
IUPAC Name4,5,6-trifluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)c(F)c(F)c2C1O
InChIInChI=1S/C8H4F3NO2/c9-2-1-3-4(6(11)5(2)10)7(13)8(14)12-3/h1,7,13H,(H,12,14)
InChIKeyUVGRHRHYXQWDMX-UHFFFAOYSA-N
XLogP1.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trifluoro-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 4,5,6-trifluoro-3-hydroxy-1,3-dihydroindol-2-one (CID 62813445) is 4,5,6-trifluoro-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 4,5,6-trifluoro-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 4,5,6-trifluoro-3-hydroxy-1,3-dihydroindol-2-one is O=C1Nc2cc(F)c(F)c(F)c2C1O.
What is the InChIKey of 4,5,6-trifluoro-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is UVGRHRHYXQWDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NO2/c9-2-1-3-4(6(11)5(2)10)7(13)8(14)12-3/h1,7,13H,(H,12,14).
What are the key properties of 4,5,6-trifluoro-3-hydroxy-1,3-dihydroindol-2-one?
4,5,6-trifluoro-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 203.12 g/mol, XLogP of 1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trifluoro-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 62813445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).