5-(trifluoromethoxy)-2H-isoindole

C9H6F3NO — CID 67485965

IUPAC5-(trifluoromethoxy)-2H-isoindole
SMILESFC(F)(F)Oc1ccc2c[nH]cc2c1
InChIInChI=1S/C9H6F3NO/c10-9(11,12)14-8-2-1-6-4-13-5-7(6)3-8/h1-5,13H
InChIKeyJEZGFDSEBQGSCQ-UHFFFAOYSA-N
MW201.15 g/mol
LogP3.07
Rot. Bonds1

About 5-(trifluoromethoxy)-2H-isoindole

5-(trifluoromethoxy)-2H-isoindole (PubChem CID 67485965) has the molecular formula C9H6F3NO and a molecular weight of 201.15 g/mol. Its IUPAC name is 5-(trifluoromethoxy)-2H-isoindole.

Molecular Properties

Compound Name5-(trifluoromethoxy)-2H-isoindole
PubChem CID67485965
Molecular FormulaC9H6F3NO
Molecular Weight201.15 g/mol
Exact Mass201.04
IUPAC Name5-(trifluoromethoxy)-2H-isoindole
SMILESFC(F)(F)Oc1ccc2c[nH]cc2c1
InChIInChI=1S/C9H6F3NO/c10-9(11,12)14-8-2-1-6-4-13-5-7(6)3-8/h1-5,13H
InChIKeyJEZGFDSEBQGSCQ-UHFFFAOYSA-N
XLogP3.07
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethoxy)-2H-isoindole?
The IUPAC name of 5-(trifluoromethoxy)-2H-isoindole (CID 67485965) is 5-(trifluoromethoxy)-2H-isoindole.
What is the SMILES notation for 5-(trifluoromethoxy)-2H-isoindole?
The canonical SMILES for 5-(trifluoromethoxy)-2H-isoindole is FC(F)(F)Oc1ccc2c[nH]cc2c1.
What is the InChIKey of 5-(trifluoromethoxy)-2H-isoindole?
The InChIKey is JEZGFDSEBQGSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NO/c10-9(11,12)14-8-2-1-6-4-13-5-7(6)3-8/h1-5,13H.
What are the key properties of 5-(trifluoromethoxy)-2H-isoindole?
5-(trifluoromethoxy)-2H-isoindole has a molecular weight of 201.15 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethoxy)-2H-isoindole is sourced from PubChem (CID 67485965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).