5-(trifluoromethyl)indol-2-one

C9H4F3NO — CID 46739861

IUPAC5-(trifluoromethyl)indol-2-one
SMILESO=C1C=c2cc(C(F)(F)F)ccc2=N1
InChIInChI=1S/C9H4F3NO/c10-9(11,12)6-1-2-7-5(3-6)4-8(14)13-7/h1-4H
InChIKeyRMKIZANIZPCQMF-UHFFFAOYSA-N
MW199.13 g/mol
LogP0.65
Rot. Bonds

About 5-(trifluoromethyl)indol-2-one

5-(trifluoromethyl)indol-2-one (PubChem CID 46739861) has the molecular formula C9H4F3NO and a molecular weight of 199.13 g/mol. Its IUPAC name is 5-(trifluoromethyl)indol-2-one.

Molecular Properties

Compound Name5-(trifluoromethyl)indol-2-one
PubChem CID46739861
Molecular FormulaC9H4F3NO
Molecular Weight199.13 g/mol
Exact Mass199.02
IUPAC Name5-(trifluoromethyl)indol-2-one
SMILESO=C1C=c2cc(C(F)(F)F)ccc2=N1
InChIInChI=1S/C9H4F3NO/c10-9(11,12)6-1-2-7-5(3-6)4-8(14)13-7/h1-4H
InChIKeyRMKIZANIZPCQMF-UHFFFAOYSA-N
XLogP0.65
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.13
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(trifluoromethyl)indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)indol-2-one?
The IUPAC name of 5-(trifluoromethyl)indol-2-one (CID 46739861) is 5-(trifluoromethyl)indol-2-one.
What is the SMILES notation for 5-(trifluoromethyl)indol-2-one?
The canonical SMILES for 5-(trifluoromethyl)indol-2-one is O=C1C=c2cc(C(F)(F)F)ccc2=N1.
What is the InChIKey of 5-(trifluoromethyl)indol-2-one?
The InChIKey is RMKIZANIZPCQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NO/c10-9(11,12)6-1-2-7-5(3-6)4-8(14)13-7/h1-4H.
What are the key properties of 5-(trifluoromethyl)indol-2-one?
5-(trifluoromethyl)indol-2-one has a molecular weight of 199.13 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)indol-2-one is sourced from PubChem (CID 46739861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).