5-bromo-1-[(2R)-oxan-2-yl]-3-(trifluoromethyl)indazole

C13H12BrF3N2O — CID 129411061

IUPAC5-bromo-1-[(2R)-oxan-2-yl]-3-(trifluoromethyl)indazole
SMILESFC(F)(F)c1nn([C@H]2CCCCO2)c2ccc(Br)cc12
InChIInChI=1S/C13H12BrF3N2O/c14-8-4-5-10-9(7-8)12(13(15,16)17)18-19(10)11-3-1-2-6-20-11/h4-5,7,11H,1-3,6H2/t11-/m1/s1
InChIKeyPOFZBJQIOBPMEZ-LLVKDONJSA-N
MW349.15 g/mol
LogP4.52
Rot. Bonds1

About 5-bromo-1-[(2R)-oxan-2-yl]-3-(trifluoromethyl)indazole

5-bromo-1-[(2R)-oxan-2-yl]-3-(trifluoromethyl)indazole (PubChem CID 129411061) has the molecular formula C13H12BrF3N2O and a molecular weight of 349.15 g/mol. Its IUPAC name is 5-bromo-1-[(2R)-oxan-2-yl]-3-(trifluoromethyl)indazole.

Molecular Properties

Compound Name5-bromo-1-[(2R)-oxan-2-yl]-3-(trifluoromethyl)indazole
PubChem CID129411061
Molecular FormulaC13H12BrF3N2O
Molecular Weight349.15 g/mol
Exact Mass348.01
IUPAC Name5-bromo-1-[(2R)-oxan-2-yl]-3-(trifluoromethyl)indazole
SMILESFC(F)(F)c1nn([C@H]2CCCCO2)c2ccc(Br)cc12
InChIInChI=1S/C13H12BrF3N2O/c14-8-4-5-10-9(7-8)12(13(15,16)17)18-19(10)11-3-1-2-6-20-11/h4-5,7,11H,1-3,6H2/t11-/m1/s1
InChIKeyPOFZBJQIOBPMEZ-LLVKDONJSA-N
XLogP4.52
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.15
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-1-[(2R)-oxan-2-yl]-3-(trifluoromethyl)indazole 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 5-bromo-1-[(2R)-oxan-2-yl]-3-(trifluoromethyl)indazole?
The IUPAC name of 5-bromo-1-[(2R)-oxan-2-yl]-3-(trifluoromethyl)indazole (CID 129411061) is 5-bromo-1-[(2R)-oxan-2-yl]-3-(trifluoromethyl)indazole.
What is the SMILES notation for 5-bromo-1-[(2R)-oxan-2-yl]-3-(trifluoromethyl)indazole?
The canonical SMILES for 5-bromo-1-[(2R)-oxan-2-yl]-3-(trifluoromethyl)indazole is FC(F)(F)c1nn([C@H]2CCCCO2)c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-1-[(2R)-oxan-2-yl]-3-(trifluoromethyl)indazole?
The InChIKey is POFZBJQIOBPMEZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H12BrF3N2O/c14-8-4-5-10-9(7-8)12(13(15,16)17)18-19(10)11-3-1-2-6-20-11/h4-5,7,11H,1-3,6H2/t11-/m1/s1.
What are the key properties of 5-bromo-1-[(2R)-oxan-2-yl]-3-(trifluoromethyl)indazole?
5-bromo-1-[(2R)-oxan-2-yl]-3-(trifluoromethyl)indazole has a molecular weight of 349.15 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(2R)-oxan-2-yl]-3-(trifluoromethyl)indazole is sourced from PubChem (CID 129411061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).