1,7-dimethyl-6-(trifluoromethyl)indol-5-ol

C11H10F3NO — CID 141170821

IUPAC1,7-dimethyl-6-(trifluoromethyl)indol-5-ol
SMILESCc1c(C(F)(F)F)c(O)cc2ccn(C)c12
InChIInChI=1S/C11H10F3NO/c1-6-9(11(12,13)14)8(16)5-7-3-4-15(2)10(6)7/h3-5,16H,1-2H3
InChIKeyBERWYSMIBKZIOG-UHFFFAOYSA-N
MW229.20 g/mol
LogP3.21
Rot. Bonds

About 1,7-dimethyl-6-(trifluoromethyl)indol-5-ol

1,7-dimethyl-6-(trifluoromethyl)indol-5-ol (PubChem CID 141170821) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 1,7-dimethyl-6-(trifluoromethyl)indol-5-ol.

Molecular Properties

Compound Name1,7-dimethyl-6-(trifluoromethyl)indol-5-ol
PubChem CID141170821
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name1,7-dimethyl-6-(trifluoromethyl)indol-5-ol
SMILESCc1c(C(F)(F)F)c(O)cc2ccn(C)c12
InChIInChI=1S/C11H10F3NO/c1-6-9(11(12,13)14)8(16)5-7-3-4-15(2)10(6)7/h3-5,16H,1-2H3
InChIKeyBERWYSMIBKZIOG-UHFFFAOYSA-N
XLogP3.21
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-6-(trifluoromethyl)indol-5-ol?
The IUPAC name of 1,7-dimethyl-6-(trifluoromethyl)indol-5-ol (CID 141170821) is 1,7-dimethyl-6-(trifluoromethyl)indol-5-ol.
What is the SMILES notation for 1,7-dimethyl-6-(trifluoromethyl)indol-5-ol?
The canonical SMILES for 1,7-dimethyl-6-(trifluoromethyl)indol-5-ol is Cc1c(C(F)(F)F)c(O)cc2ccn(C)c12.
What is the InChIKey of 1,7-dimethyl-6-(trifluoromethyl)indol-5-ol?
The InChIKey is BERWYSMIBKZIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-6-9(11(12,13)14)8(16)5-7-3-4-15(2)10(6)7/h3-5,16H,1-2H3.
What are the key properties of 1,7-dimethyl-6-(trifluoromethyl)indol-5-ol?
1,7-dimethyl-6-(trifluoromethyl)indol-5-ol has a molecular weight of 229.20 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-6-(trifluoromethyl)indol-5-ol is sourced from PubChem (CID 141170821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).