2-[4-phenyl-3-(trifluoromethyl)phenyl]indazole

C20H13F3N2 — CID 141101539

IUPAC2-[4-phenyl-3-(trifluoromethyl)phenyl]indazole
SMILESFC(F)(F)c1cc(-n2cc3ccccc3n2)ccc1-c1ccccc1
InChIInChI=1S/C20H13F3N2/c21-20(22,23)18-12-16(10-11-17(18)14-6-2-1-3-7-14)25-13-15-8-4-5-9-19(15)24-25/h1-13H
InChIKeyODYHLZHQYCPXPT-UHFFFAOYSA-N
MW338.33 g/mol
LogP5.71
Rot. Bonds2

About 2-[4-phenyl-3-(trifluoromethyl)phenyl]indazole

2-[4-phenyl-3-(trifluoromethyl)phenyl]indazole (PubChem CID 141101539) has the molecular formula C20H13F3N2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 2-[4-phenyl-3-(trifluoromethyl)phenyl]indazole.

Molecular Properties

Compound Name2-[4-phenyl-3-(trifluoromethyl)phenyl]indazole
PubChem CID141101539
Molecular FormulaC20H13F3N2
Molecular Weight338.33 g/mol
Exact Mass338.10
IUPAC Name2-[4-phenyl-3-(trifluoromethyl)phenyl]indazole
SMILESFC(F)(F)c1cc(-n2cc3ccccc3n2)ccc1-c1ccccc1
InChIInChI=1S/C20H13F3N2/c21-20(22,23)18-12-16(10-11-17(18)14-6-2-1-3-7-14)25-13-15-8-4-5-9-19(15)24-25/h1-13H
InChIKeyODYHLZHQYCPXPT-UHFFFAOYSA-N
XLogP5.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.33
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-phenyl-3-(trifluoromethyl)phenyl]indazole?
The IUPAC name of 2-[4-phenyl-3-(trifluoromethyl)phenyl]indazole (CID 141101539) is 2-[4-phenyl-3-(trifluoromethyl)phenyl]indazole.
What is the SMILES notation for 2-[4-phenyl-3-(trifluoromethyl)phenyl]indazole?
The canonical SMILES for 2-[4-phenyl-3-(trifluoromethyl)phenyl]indazole is FC(F)(F)c1cc(-n2cc3ccccc3n2)ccc1-c1ccccc1.
What is the InChIKey of 2-[4-phenyl-3-(trifluoromethyl)phenyl]indazole?
The InChIKey is ODYHLZHQYCPXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2/c21-20(22,23)18-12-16(10-11-17(18)14-6-2-1-3-7-14)25-13-15-8-4-5-9-19(15)24-25/h1-13H.
What are the key properties of 2-[4-phenyl-3-(trifluoromethyl)phenyl]indazole?
2-[4-phenyl-3-(trifluoromethyl)phenyl]indazole has a molecular weight of 338.33 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-phenyl-3-(trifluoromethyl)phenyl]indazole is sourced from PubChem (CID 141101539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).