5-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-indazole

C14H8F4N2 — CID 90645452

IUPAC5-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-indazole
SMILESFc1ccc(C(F)(F)F)c(-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C14H8F4N2/c15-10-2-3-12(14(16,17)18)11(6-10)8-1-4-13-9(5-8)7-19-20-13/h1-7H,(H,19,20)
InChIKeyTVAIIHSCCMEHLG-UHFFFAOYSA-N
MW280.22 g/mol
LogP4.39
Rot. Bonds1

About 5-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-indazole

5-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-indazole (PubChem CID 90645452) has the molecular formula C14H8F4N2 and a molecular weight of 280.22 g/mol. Its IUPAC name is 5-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-indazole.

Molecular Properties

Compound Name5-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-indazole
PubChem CID90645452
Molecular FormulaC14H8F4N2
Molecular Weight280.22 g/mol
Exact Mass280.06
IUPAC Name5-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-indazole
SMILESFc1ccc(C(F)(F)F)c(-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C14H8F4N2/c15-10-2-3-12(14(16,17)18)11(6-10)8-1-4-13-9(5-8)7-19-20-13/h1-7H,(H,19,20)
InChIKeyTVAIIHSCCMEHLG-UHFFFAOYSA-N
XLogP4.39
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-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-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-indazole?
The IUPAC name of 5-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-indazole (CID 90645452) is 5-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-indazole.
What is the SMILES notation for 5-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-indazole?
The canonical SMILES for 5-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-indazole is Fc1ccc(C(F)(F)F)c(-c2ccc3[nH]ncc3c2)c1.
What is the InChIKey of 5-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-indazole?
The InChIKey is TVAIIHSCCMEHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N2/c15-10-2-3-12(14(16,17)18)11(6-10)8-1-4-13-9(5-8)7-19-20-13/h1-7H,(H,19,20).
What are the key properties of 5-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-indazole?
5-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-indazole has a molecular weight of 280.22 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-indazole is sourced from PubChem (CID 90645452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).