3-hydroxy-6-methyl-3-(trifluoromethyl)-1H-indol-2-one

C10H8F3NO2 — CID 4536216

IUPAC3-hydroxy-6-methyl-3-(trifluoromethyl)-1H-indol-2-one
SMILESCc1ccc2c(c1)NC(=O)C2(O)C(F)(F)F
InChIInChI=1S/C10H8F3NO2/c1-5-2-3-6-7(4-5)14-8(15)9(6,16)10(11,12)13/h2-4,16H,1H3,(H,14,15)
InChIKeyFIEVIPASBRMCMZ-UHFFFAOYSA-N
MW231.17 g/mol
LogP1.70
Rot. Bonds

About 3-hydroxy-6-methyl-3-(trifluoromethyl)-1H-indol-2-one

3-hydroxy-6-methyl-3-(trifluoromethyl)-1H-indol-2-one (PubChem CID 4536216) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-3-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-6-methyl-3-(trifluoromethyl)-1H-indol-2-one
PubChem CID4536216
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name3-hydroxy-6-methyl-3-(trifluoromethyl)-1H-indol-2-one
SMILESCc1ccc2c(c1)NC(=O)C2(O)C(F)(F)F
InChIInChI=1S/C10H8F3NO2/c1-5-2-3-6-7(4-5)14-8(15)9(6,16)10(11,12)13/h2-4,16H,1H3,(H,14,15)
InChIKeyFIEVIPASBRMCMZ-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methyl-3-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 3-hydroxy-6-methyl-3-(trifluoromethyl)-1H-indol-2-one (CID 4536216) is 3-hydroxy-6-methyl-3-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-6-methyl-3-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-6-methyl-3-(trifluoromethyl)-1H-indol-2-one is Cc1ccc2c(c1)NC(=O)C2(O)C(F)(F)F.
What is the InChIKey of 3-hydroxy-6-methyl-3-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is FIEVIPASBRMCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c1-5-2-3-6-7(4-5)14-8(15)9(6,16)10(11,12)13/h2-4,16H,1H3,(H,14,15).
What are the key properties of 3-hydroxy-6-methyl-3-(trifluoromethyl)-1H-indol-2-one?
3-hydroxy-6-methyl-3-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 231.17 g/mol, XLogP of 1.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methyl-3-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 4536216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).