1-methyl-4-(trifluoromethyl)-3H-indol-2-one

C10H8F3NO — CID 57380795

IUPAC1-methyl-4-(trifluoromethyl)-3H-indol-2-one
SMILESCN1C(=O)Cc2c1cccc2C(F)(F)F
InChIInChI=1S/C10H8F3NO/c1-14-8-4-2-3-7(10(11,12)13)6(8)5-9(14)15/h2-4H,5H2,1H3
InChIKeyCFRZJKHSJCPYSJ-UHFFFAOYSA-N
MW215.17 g/mol
LogP2.22
Rot. Bonds

About 1-methyl-4-(trifluoromethyl)-3H-indol-2-one

1-methyl-4-(trifluoromethyl)-3H-indol-2-one (PubChem CID 57380795) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethyl)-3H-indol-2-one
PubChem CID57380795
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name1-methyl-4-(trifluoromethyl)-3H-indol-2-one
SMILESCN1C(=O)Cc2c1cccc2C(F)(F)F
InChIInChI=1S/C10H8F3NO/c1-14-8-4-2-3-7(10(11,12)13)6(8)5-9(14)15/h2-4H,5H2,1H3
InChIKeyCFRZJKHSJCPYSJ-UHFFFAOYSA-N
XLogP2.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(trifluoromethyl)-3H-indol-2-one?
The IUPAC name of 1-methyl-4-(trifluoromethyl)-3H-indol-2-one (CID 57380795) is 1-methyl-4-(trifluoromethyl)-3H-indol-2-one.
What is the SMILES notation for 1-methyl-4-(trifluoromethyl)-3H-indol-2-one?
The canonical SMILES for 1-methyl-4-(trifluoromethyl)-3H-indol-2-one is CN1C(=O)Cc2c1cccc2C(F)(F)F.
What is the InChIKey of 1-methyl-4-(trifluoromethyl)-3H-indol-2-one?
The InChIKey is CFRZJKHSJCPYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c1-14-8-4-2-3-7(10(11,12)13)6(8)5-9(14)15/h2-4H,5H2,1H3.
What are the key properties of 1-methyl-4-(trifluoromethyl)-3H-indol-2-one?
1-methyl-4-(trifluoromethyl)-3H-indol-2-one has a molecular weight of 215.17 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethyl)-3H-indol-2-one is sourced from PubChem (CID 57380795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).