1-(4,5,7-trifluoro-2-methyl-1H-indol-3-yl)ethanol

C11H10F3NO — CID 65332721

IUPAC1-(4,5,7-trifluoro-2-methyl-1H-indol-3-yl)ethanol
SMILESCc1[nH]c2c(F)cc(F)c(F)c2c1C(C)O
InChIInChI=1S/C11H10F3NO/c1-4-8(5(2)16)9-10(14)6(12)3-7(13)11(9)15-4/h3,5,15-16H,1-2H3
InChIKeyXSZUJNUIMHKGNZ-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.95
Rot. Bonds1

About 1-(4,5,7-trifluoro-2-methyl-1H-indol-3-yl)ethanol

1-(4,5,7-trifluoro-2-methyl-1H-indol-3-yl)ethanol (PubChem CID 65332721) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 1-(4,5,7-trifluoro-2-methyl-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name1-(4,5,7-trifluoro-2-methyl-1H-indol-3-yl)ethanol
PubChem CID65332721
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name1-(4,5,7-trifluoro-2-methyl-1H-indol-3-yl)ethanol
SMILESCc1[nH]c2c(F)cc(F)c(F)c2c1C(C)O
InChIInChI=1S/C11H10F3NO/c1-4-8(5(2)16)9-10(14)6(12)3-7(13)11(9)15-4/h3,5,15-16H,1-2H3
InChIKeyXSZUJNUIMHKGNZ-UHFFFAOYSA-N
XLogP2.95
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-(4,5,7-trifluoro-2-methyl-1H-indol-3-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4,5,7-trifluoro-2-methyl-1H-indol-3-yl)ethanol?
The IUPAC name of 1-(4,5,7-trifluoro-2-methyl-1H-indol-3-yl)ethanol (CID 65332721) is 1-(4,5,7-trifluoro-2-methyl-1H-indol-3-yl)ethanol.
What is the SMILES notation for 1-(4,5,7-trifluoro-2-methyl-1H-indol-3-yl)ethanol?
The canonical SMILES for 1-(4,5,7-trifluoro-2-methyl-1H-indol-3-yl)ethanol is Cc1[nH]c2c(F)cc(F)c(F)c2c1C(C)O.
What is the InChIKey of 1-(4,5,7-trifluoro-2-methyl-1H-indol-3-yl)ethanol?
The InChIKey is XSZUJNUIMHKGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-4-8(5(2)16)9-10(14)6(12)3-7(13)11(9)15-4/h3,5,15-16H,1-2H3.
What are the key properties of 1-(4,5,7-trifluoro-2-methyl-1H-indol-3-yl)ethanol?
1-(4,5,7-trifluoro-2-methyl-1H-indol-3-yl)ethanol has a molecular weight of 229.20 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,7-trifluoro-2-methyl-1H-indol-3-yl)ethanol is sourced from PubChem (CID 65332721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).