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

C15H8F6N2O — CID 90645470

IUPAC6-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole
SMILESFC(F)(F)Oc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H8F6N2O/c16-14(17,18)11-4-2-1-3-9(11)10-5-8-7-22-23-12(8)6-13(10)24-15(19,20)21/h1-7H,(H,22,23)
InChIKeyXOQQYLAKAJMBHH-UHFFFAOYSA-N
MW346.23 g/mol
LogP5.15
Rot. Bonds2

About 6-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole

6-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole (PubChem CID 90645470) has the molecular formula C15H8F6N2O and a molecular weight of 346.23 g/mol. Its IUPAC name is 6-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole.

Molecular Properties

Compound Name6-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole
PubChem CID90645470
Molecular FormulaC15H8F6N2O
Molecular Weight346.23 g/mol
Exact Mass346.05
IUPAC Name6-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole
SMILESFC(F)(F)Oc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H8F6N2O/c16-14(17,18)11-4-2-1-3-9(11)10-5-8-7-22-23-12(8)6-13(10)24-15(19,20)21/h1-7H,(H,22,23)
InChIKeyXOQQYLAKAJMBHH-UHFFFAOYSA-N
XLogP5.15
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.23
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The IUPAC name of 6-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole (CID 90645470) is 6-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole.
What is the SMILES notation for 6-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The canonical SMILES for 6-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole is FC(F)(F)Oc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 6-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The InChIKey is XOQQYLAKAJMBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F6N2O/c16-14(17,18)11-4-2-1-3-9(11)10-5-8-7-22-23-12(8)6-13(10)24-15(19,20)21/h1-7H,(H,22,23).
What are the key properties of 6-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
6-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole has a molecular weight of 346.23 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole is sourced from PubChem (CID 90645470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).