2-(trifluoromethyl)-1H-indol-4-ol

C9H6F3NO — CID 67244990

IUPAC2-(trifluoromethyl)-1H-indol-4-ol
SMILESOc1cccc2[nH]c(C(F)(F)F)cc12
InChIInChI=1S/C9H6F3NO/c10-9(11,12)8-4-5-6(13-8)2-1-3-7(5)14/h1-4,13-14H
InChIKeyGDOWSDZUKGLJET-UHFFFAOYSA-N
MW201.15 g/mol
LogP2.89
Rot. Bonds

About 2-(trifluoromethyl)-1H-indol-4-ol

2-(trifluoromethyl)-1H-indol-4-ol (PubChem CID 67244990) has the molecular formula C9H6F3NO and a molecular weight of 201.15 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1H-indol-4-ol.

Molecular Properties

Compound Name2-(trifluoromethyl)-1H-indol-4-ol
PubChem CID67244990
Molecular FormulaC9H6F3NO
Molecular Weight201.15 g/mol
Exact Mass201.04
IUPAC Name2-(trifluoromethyl)-1H-indol-4-ol
SMILESOc1cccc2[nH]c(C(F)(F)F)cc12
InChIInChI=1S/C9H6F3NO/c10-9(11,12)8-4-5-6(13-8)2-1-3-7(5)14/h1-4,13-14H
InChIKeyGDOWSDZUKGLJET-UHFFFAOYSA-N
XLogP2.89
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1H-indol-4-ol?
The IUPAC name of 2-(trifluoromethyl)-1H-indol-4-ol (CID 67244990) is 2-(trifluoromethyl)-1H-indol-4-ol.
What is the SMILES notation for 2-(trifluoromethyl)-1H-indol-4-ol?
The canonical SMILES for 2-(trifluoromethyl)-1H-indol-4-ol is Oc1cccc2[nH]c(C(F)(F)F)cc12.
What is the InChIKey of 2-(trifluoromethyl)-1H-indol-4-ol?
The InChIKey is GDOWSDZUKGLJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NO/c10-9(11,12)8-4-5-6(13-8)2-1-3-7(5)14/h1-4,13-14H.
What are the key properties of 2-(trifluoromethyl)-1H-indol-4-ol?
2-(trifluoromethyl)-1H-indol-4-ol has a molecular weight of 201.15 g/mol, XLogP of 2.89, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1H-indol-4-ol is sourced from PubChem (CID 67244990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).