3-tert-butyl-6,7-difluoro-3-hydroxy-1H-indol-2-one

C12H13F2NO2 — CID 59477486

IUPAC3-tert-butyl-6,7-difluoro-3-hydroxy-1H-indol-2-one
SMILESCC(C)(C)C1(O)C(=O)Nc2c1ccc(F)c2F
InChIInChI=1S/C12H13F2NO2/c1-11(2,3)12(17)6-4-5-7(13)8(14)9(6)15-10(12)16/h4-5,17H,1-3H3,(H,15,16)
InChIKeyMAOHCQKCCLQJBQ-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.15
Rot. Bonds

About 3-tert-butyl-6,7-difluoro-3-hydroxy-1H-indol-2-one

3-tert-butyl-6,7-difluoro-3-hydroxy-1H-indol-2-one (PubChem CID 59477486) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 3-tert-butyl-6,7-difluoro-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-tert-butyl-6,7-difluoro-3-hydroxy-1H-indol-2-one
PubChem CID59477486
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name3-tert-butyl-6,7-difluoro-3-hydroxy-1H-indol-2-one
SMILESCC(C)(C)C1(O)C(=O)Nc2c1ccc(F)c2F
InChIInChI=1S/C12H13F2NO2/c1-11(2,3)12(17)6-4-5-7(13)8(14)9(6)15-10(12)16/h4-5,17H,1-3H3,(H,15,16)
InChIKeyMAOHCQKCCLQJBQ-UHFFFAOYSA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6,7-difluoro-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-tert-butyl-6,7-difluoro-3-hydroxy-1H-indol-2-one (CID 59477486) is 3-tert-butyl-6,7-difluoro-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-tert-butyl-6,7-difluoro-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-tert-butyl-6,7-difluoro-3-hydroxy-1H-indol-2-one is CC(C)(C)C1(O)C(=O)Nc2c1ccc(F)c2F.
What is the InChIKey of 3-tert-butyl-6,7-difluoro-3-hydroxy-1H-indol-2-one?
The InChIKey is MAOHCQKCCLQJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-11(2,3)12(17)6-4-5-7(13)8(14)9(6)15-10(12)16/h4-5,17H,1-3H3,(H,15,16).
What are the key properties of 3-tert-butyl-6,7-difluoro-3-hydroxy-1H-indol-2-one?
3-tert-butyl-6,7-difluoro-3-hydroxy-1H-indol-2-one has a molecular weight of 241.24 g/mol, XLogP of 2.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6,7-difluoro-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 59477486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).