2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol

C18H14F3N3O — CID 59437224

IUPAC2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol
SMILESCn1cc(C(O)(c2ccc3[nH]ncc3c2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C18H14F3N3O/c1-24-10-14(13-4-2-3-5-16(13)24)17(25,18(19,20)21)12-6-7-15-11(8-12)9-22-23-15/h2-10,25H,1H3,(H,22,23)
InChIKeyMDRNVDGFYLPZRV-UHFFFAOYSA-N
MW345.32 g/mol
LogP3.85
Rot. Bonds2

About 2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol

2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol (PubChem CID 59437224) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol
PubChem CID59437224
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC Name2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol
SMILESCn1cc(C(O)(c2ccc3[nH]ncc3c2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C18H14F3N3O/c1-24-10-14(13-4-2-3-5-16(13)24)17(25,18(19,20)21)12-6-7-15-11(8-12)9-22-23-15/h2-10,25H,1H3,(H,22,23)
InChIKeyMDRNVDGFYLPZRV-UHFFFAOYSA-N
XLogP3.85
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-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 2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol (CID 59437224) is 2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol is Cn1cc(C(O)(c2ccc3[nH]ncc3c2)C(F)(F)F)c2ccccc21.
What is the InChIKey of 2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol?
The InChIKey is MDRNVDGFYLPZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O/c1-24-10-14(13-4-2-3-5-16(13)24)17(25,18(19,20)21)12-6-7-15-11(8-12)9-22-23-15/h2-10,25H,1H3,(H,22,23).
What are the key properties of 2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol?
2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol has a molecular weight of 345.32 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol is sourced from PubChem (CID 59437224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).