5-methyl-1-phenyl-3-(trifluoromethyl)-3H-indol-2-one

C16H12F3NO — CID 174878770

IUPAC5-methyl-1-phenyl-3-(trifluoromethyl)-3H-indol-2-one
SMILESCc1ccc2c(c1)C(C(F)(F)F)C(=O)N2c1ccccc1
InChIInChI=1S/C16H12F3NO/c1-10-7-8-13-12(9-10)14(16(17,18)19)15(21)20(13)11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKeyWVYYPYFEHWCUOO-UHFFFAOYSA-N
MW291.27 g/mol
LogP4.32
Rot. Bonds1

About 5-methyl-1-phenyl-3-(trifluoromethyl)-3H-indol-2-one

5-methyl-1-phenyl-3-(trifluoromethyl)-3H-indol-2-one (PubChem CID 174878770) has the molecular formula C16H12F3NO and a molecular weight of 291.27 g/mol. Its IUPAC name is 5-methyl-1-phenyl-3-(trifluoromethyl)-3H-indol-2-one.

Molecular Properties

Compound Name5-methyl-1-phenyl-3-(trifluoromethyl)-3H-indol-2-one
PubChem CID174878770
Molecular FormulaC16H12F3NO
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Name5-methyl-1-phenyl-3-(trifluoromethyl)-3H-indol-2-one
SMILESCc1ccc2c(c1)C(C(F)(F)F)C(=O)N2c1ccccc1
InChIInChI=1S/C16H12F3NO/c1-10-7-8-13-12(9-10)14(16(17,18)19)15(21)20(13)11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKeyWVYYPYFEHWCUOO-UHFFFAOYSA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-3-(trifluoromethyl)-3H-indol-2-one?
The IUPAC name of 5-methyl-1-phenyl-3-(trifluoromethyl)-3H-indol-2-one (CID 174878770) is 5-methyl-1-phenyl-3-(trifluoromethyl)-3H-indol-2-one.
What is the SMILES notation for 5-methyl-1-phenyl-3-(trifluoromethyl)-3H-indol-2-one?
The canonical SMILES for 5-methyl-1-phenyl-3-(trifluoromethyl)-3H-indol-2-one is Cc1ccc2c(c1)C(C(F)(F)F)C(=O)N2c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-3-(trifluoromethyl)-3H-indol-2-one?
The InChIKey is WVYYPYFEHWCUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO/c1-10-7-8-13-12(9-10)14(16(17,18)19)15(21)20(13)11-5-3-2-4-6-11/h2-9,14H,1H3.
What are the key properties of 5-methyl-1-phenyl-3-(trifluoromethyl)-3H-indol-2-one?
5-methyl-1-phenyl-3-(trifluoromethyl)-3H-indol-2-one has a molecular weight of 291.27 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-3-(trifluoromethyl)-3H-indol-2-one is sourced from PubChem (CID 174878770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).