6-(trifluoromethyl)indol-2-one

C9H4F3NO — CID 46173012

IUPAC6-(trifluoromethyl)indol-2-one
SMILESO=C1C=c2ccc(C(F)(F)F)cc2=N1
InChIInChI=1S/C9H4F3NO/c10-9(11,12)6-2-1-5-3-8(14)13-7(5)4-6/h1-4H
InChIKeyIBPVFOZEOKLLOB-UHFFFAOYSA-N
MW199.13 g/mol
LogP0.65
Rot. Bonds

About 6-(trifluoromethyl)indol-2-one

6-(trifluoromethyl)indol-2-one (PubChem CID 46173012) has the molecular formula C9H4F3NO and a molecular weight of 199.13 g/mol. Its IUPAC name is 6-(trifluoromethyl)indol-2-one.

Molecular Properties

Compound Name6-(trifluoromethyl)indol-2-one
PubChem CID46173012
Molecular FormulaC9H4F3NO
Molecular Weight199.13 g/mol
Exact Mass199.02
IUPAC Name6-(trifluoromethyl)indol-2-one
SMILESO=C1C=c2ccc(C(F)(F)F)cc2=N1
InChIInChI=1S/C9H4F3NO/c10-9(11,12)6-2-1-5-3-8(14)13-7(5)4-6/h1-4H
InChIKeyIBPVFOZEOKLLOB-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

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)indol-2-one?
The IUPAC name of 6-(trifluoromethyl)indol-2-one (CID 46173012) is 6-(trifluoromethyl)indol-2-one.
What is the SMILES notation for 6-(trifluoromethyl)indol-2-one?
The canonical SMILES for 6-(trifluoromethyl)indol-2-one is O=C1C=c2ccc(C(F)(F)F)cc2=N1.
What is the InChIKey of 6-(trifluoromethyl)indol-2-one?
The InChIKey is IBPVFOZEOKLLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NO/c10-9(11,12)6-2-1-5-3-8(14)13-7(5)4-6/h1-4H.
What are the key properties of 6-(trifluoromethyl)indol-2-one?
6-(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 6-(trifluoromethyl)indol-2-one is sourced from PubChem (CID 46173012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).