[2-methyl-1-(trifluoromethyl)-2,3-dihydroindol-5-yl]methanol

C11H12F3NO — CID 151032385

IUPAC[2-methyl-1-(trifluoromethyl)-2,3-dihydroindol-5-yl]methanol
SMILESCC1Cc2cc(CO)ccc2N1C(F)(F)F
InChIInChI=1S/C11H12F3NO/c1-7-4-9-5-8(6-16)2-3-10(9)15(7)11(12,13)14/h2-3,5,7,16H,4,6H2,1H3
InChIKeyMAIKHEANJVKIHS-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.45
Rot. Bonds1

About [2-methyl-1-(trifluoromethyl)-2,3-dihydroindol-5-yl]methanol

[2-methyl-1-(trifluoromethyl)-2,3-dihydroindol-5-yl]methanol (PubChem CID 151032385) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is [2-methyl-1-(trifluoromethyl)-2,3-dihydroindol-5-yl]methanol.

Molecular Properties

Compound Name[2-methyl-1-(trifluoromethyl)-2,3-dihydroindol-5-yl]methanol
PubChem CID151032385
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name[2-methyl-1-(trifluoromethyl)-2,3-dihydroindol-5-yl]methanol
SMILESCC1Cc2cc(CO)ccc2N1C(F)(F)F
InChIInChI=1S/C11H12F3NO/c1-7-4-9-5-8(6-16)2-3-10(9)15(7)11(12,13)14/h2-3,5,7,16H,4,6H2,1H3
InChIKeyMAIKHEANJVKIHS-UHFFFAOYSA-N
XLogP2.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze [2-methyl-1-(trifluoromethyl)-2,3-dihydroindol-5-yl]methanol 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 [2-methyl-1-(trifluoromethyl)-2,3-dihydroindol-5-yl]methanol?
The IUPAC name of [2-methyl-1-(trifluoromethyl)-2,3-dihydroindol-5-yl]methanol (CID 151032385) is [2-methyl-1-(trifluoromethyl)-2,3-dihydroindol-5-yl]methanol.
What is the SMILES notation for [2-methyl-1-(trifluoromethyl)-2,3-dihydroindol-5-yl]methanol?
The canonical SMILES for [2-methyl-1-(trifluoromethyl)-2,3-dihydroindol-5-yl]methanol is CC1Cc2cc(CO)ccc2N1C(F)(F)F.
What is the InChIKey of [2-methyl-1-(trifluoromethyl)-2,3-dihydroindol-5-yl]methanol?
The InChIKey is MAIKHEANJVKIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-7-4-9-5-8(6-16)2-3-10(9)15(7)11(12,13)14/h2-3,5,7,16H,4,6H2,1H3.
What are the key properties of [2-methyl-1-(trifluoromethyl)-2,3-dihydroindol-5-yl]methanol?
[2-methyl-1-(trifluoromethyl)-2,3-dihydroindol-5-yl]methanol has a molecular weight of 231.22 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(trifluoromethyl)-2,3-dihydroindol-5-yl]methanol is sourced from PubChem (CID 151032385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).