1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol

C19H19F3N2O2 — CID 162582567

IUPAC1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol
SMILESCc1cc(C)c(OCC(O)(c2ccc3[nH]ncc3c2)C(F)(F)F)c(C)c1
InChIInChI=1S/C19H19F3N2O2/c1-11-6-12(2)17(13(3)7-11)26-10-18(25,19(20,21)22)15-4-5-16-14(8-15)9-23-24-16/h4-9,25H,10H2,1-3H3,(H,23,24)
InChIKeyZNVPFLPRXLSIFN-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.32
Rot. Bonds4

About 1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol

1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol (PubChem CID 162582567) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol
PubChem CID162582567
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol
SMILESCc1cc(C)c(OCC(O)(c2ccc3[nH]ncc3c2)C(F)(F)F)c(C)c1
InChIInChI=1S/C19H19F3N2O2/c1-11-6-12(2)17(13(3)7-11)26-10-18(25,19(20,21)22)15-4-5-16-14(8-15)9-23-24-16/h4-9,25H,10H2,1-3H3,(H,23,24)
InChIKeyZNVPFLPRXLSIFN-UHFFFAOYSA-N
XLogP4.32
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol 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 1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol (CID 162582567) is 1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol is Cc1cc(C)c(OCC(O)(c2ccc3[nH]ncc3c2)C(F)(F)F)c(C)c1.
What is the InChIKey of 1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol?
The InChIKey is ZNVPFLPRXLSIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-11-6-12(2)17(13(3)7-11)26-10-18(25,19(20,21)22)15-4-5-16-14(8-15)9-23-24-16/h4-9,25H,10H2,1-3H3,(H,23,24).
What are the key properties of 1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol?
1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol has a molecular weight of 364.37 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,4,6-trimethylphenoxy)propan-2-ol is sourced from PubChem (CID 162582567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).