3-hydroxy-1,5-dimethyl-3-(trifluoromethyl)indol-2-one

C11H10F3NO2 — CID 102474300

IUPAC3-hydroxy-1,5-dimethyl-3-(trifluoromethyl)indol-2-one
SMILESCc1ccc2c(c1)C(O)(C(F)(F)F)C(=O)N2C
InChIInChI=1S/C11H10F3NO2/c1-6-3-4-8-7(5-6)10(17,11(12,13)14)9(16)15(8)2/h3-5,17H,1-2H3
InChIKeyWENVKQBBULLDGE-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.72
Rot. Bonds

About 3-hydroxy-1,5-dimethyl-3-(trifluoromethyl)indol-2-one

3-hydroxy-1,5-dimethyl-3-(trifluoromethyl)indol-2-one (PubChem CID 102474300) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 3-hydroxy-1,5-dimethyl-3-(trifluoromethyl)indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1,5-dimethyl-3-(trifluoromethyl)indol-2-one
PubChem CID102474300
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name3-hydroxy-1,5-dimethyl-3-(trifluoromethyl)indol-2-one
SMILESCc1ccc2c(c1)C(O)(C(F)(F)F)C(=O)N2C
InChIInChI=1S/C11H10F3NO2/c1-6-3-4-8-7(5-6)10(17,11(12,13)14)9(16)15(8)2/h3-5,17H,1-2H3
InChIKeyWENVKQBBULLDGE-UHFFFAOYSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,5-dimethyl-3-(trifluoromethyl)indol-2-one?
The IUPAC name of 3-hydroxy-1,5-dimethyl-3-(trifluoromethyl)indol-2-one (CID 102474300) is 3-hydroxy-1,5-dimethyl-3-(trifluoromethyl)indol-2-one.
What is the SMILES notation for 3-hydroxy-1,5-dimethyl-3-(trifluoromethyl)indol-2-one?
The canonical SMILES for 3-hydroxy-1,5-dimethyl-3-(trifluoromethyl)indol-2-one is Cc1ccc2c(c1)C(O)(C(F)(F)F)C(=O)N2C.
What is the InChIKey of 3-hydroxy-1,5-dimethyl-3-(trifluoromethyl)indol-2-one?
The InChIKey is WENVKQBBULLDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-6-3-4-8-7(5-6)10(17,11(12,13)14)9(16)15(8)2/h3-5,17H,1-2H3.
What are the key properties of 3-hydroxy-1,5-dimethyl-3-(trifluoromethyl)indol-2-one?
3-hydroxy-1,5-dimethyl-3-(trifluoromethyl)indol-2-one has a molecular weight of 245.20 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,5-dimethyl-3-(trifluoromethyl)indol-2-one is sourced from PubChem (CID 102474300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).