6-(trifluoromethyl)indol-4-one

C9H4F3NO — CID 175206684

IUPAC6-(trifluoromethyl)indol-4-one
SMILESO=C1C=C(C(F)(F)F)C=C2N=CC=C12
InChIInChI=1S/C9H4F3NO/c10-9(11,12)5-3-7-6(1-2-13-7)8(14)4-5/h1-4H
InChIKeySBPIMUOCTJMWJI-UHFFFAOYSA-N
MW199.13 g/mol
LogP1.95
Rot. Bonds

About 6-(trifluoromethyl)indol-4-one

6-(trifluoromethyl)indol-4-one (PubChem CID 175206684) has the molecular formula C9H4F3NO and a molecular weight of 199.13 g/mol. Its IUPAC name is 6-(trifluoromethyl)indol-4-one.

Molecular Properties

Compound Name6-(trifluoromethyl)indol-4-one
PubChem CID175206684
Molecular FormulaC9H4F3NO
Molecular Weight199.13 g/mol
Exact Mass199.02
IUPAC Name6-(trifluoromethyl)indol-4-one
SMILESO=C1C=C(C(F)(F)F)C=C2N=CC=C12
InChIInChI=1S/C9H4F3NO/c10-9(11,12)5-3-7-6(1-2-13-7)8(14)4-5/h1-4H
InChIKeySBPIMUOCTJMWJI-UHFFFAOYSA-N
XLogP1.95
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.13
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)indol-4-one?
The IUPAC name of 6-(trifluoromethyl)indol-4-one (CID 175206684) is 6-(trifluoromethyl)indol-4-one.
What is the SMILES notation for 6-(trifluoromethyl)indol-4-one?
The canonical SMILES for 6-(trifluoromethyl)indol-4-one is O=C1C=C(C(F)(F)F)C=C2N=CC=C12.
What is the InChIKey of 6-(trifluoromethyl)indol-4-one?
The InChIKey is SBPIMUOCTJMWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NO/c10-9(11,12)5-3-7-6(1-2-13-7)8(14)4-5/h1-4H.
What are the key properties of 6-(trifluoromethyl)indol-4-one?
6-(trifluoromethyl)indol-4-one has a molecular weight of 199.13 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)indol-4-one is sourced from PubChem (CID 175206684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).