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

C14H9F3N2 — CID 90645447

IUPAC5-[2-(trifluoromethyl)phenyl]-1H-indazole
SMILESFC(F)(F)c1ccccc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C14H9F3N2/c15-14(16,17)12-4-2-1-3-11(12)9-5-6-13-10(7-9)8-18-19-13/h1-8H,(H,18,19)
InChIKeyPJYBQLCOMOPZIT-UHFFFAOYSA-N
MW262.23 g/mol
LogP4.25
Rot. Bonds1

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

5-[2-(trifluoromethyl)phenyl]-1H-indazole (PubChem CID 90645447) has the molecular formula C14H9F3N2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)phenyl]-1H-indazole.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)phenyl]-1H-indazole
PubChem CID90645447
Molecular FormulaC14H9F3N2
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name5-[2-(trifluoromethyl)phenyl]-1H-indazole
SMILESFC(F)(F)c1ccccc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C14H9F3N2/c15-14(16,17)12-4-2-1-3-11(12)9-5-6-13-10(7-9)8-18-19-13/h1-8H,(H,18,19)
InChIKeyPJYBQLCOMOPZIT-UHFFFAOYSA-N
XLogP4.25
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The IUPAC name of 5-[2-(trifluoromethyl)phenyl]-1H-indazole (CID 90645447) is 5-[2-(trifluoromethyl)phenyl]-1H-indazole.
What is the SMILES notation for 5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The canonical SMILES for 5-[2-(trifluoromethyl)phenyl]-1H-indazole is FC(F)(F)c1ccccc1-c1ccc2[nH]ncc2c1.
What is the InChIKey of 5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The InChIKey is PJYBQLCOMOPZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2/c15-14(16,17)12-4-2-1-3-11(12)9-5-6-13-10(7-9)8-18-19-13/h1-8H,(H,18,19).
What are the key properties of 5-[2-(trifluoromethyl)phenyl]-1H-indazole?
5-[2-(trifluoromethyl)phenyl]-1H-indazole has a molecular weight of 262.23 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethyl)phenyl]-1H-indazole is sourced from PubChem (CID 90645447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).