4,5,6,7-tetrafluoro-3-phenyl-1H-indazole

C13H6F4N2 — CID 4523276

IUPAC4,5,6,7-tetrafluoro-3-phenyl-1H-indazole
SMILESFc1c(F)c(F)c2c(-c3ccccc3)n[nH]c2c1F
InChIInChI=1S/C13H6F4N2/c14-8-7-12(6-4-2-1-3-5-6)18-19-13(7)11(17)10(16)9(8)15/h1-5H,(H,18,19)
InChIKeyZOHAHOLLCJUXBD-UHFFFAOYSA-N
MW266.20 g/mol
LogP3.79
Rot. Bonds1

About 4,5,6,7-tetrafluoro-3-phenyl-1H-indazole

4,5,6,7-tetrafluoro-3-phenyl-1H-indazole (PubChem CID 4523276) has the molecular formula C13H6F4N2 and a molecular weight of 266.20 g/mol. Its IUPAC name is 4,5,6,7-tetrafluoro-3-phenyl-1H-indazole.

Molecular Properties

Compound Name4,5,6,7-tetrafluoro-3-phenyl-1H-indazole
PubChem CID4523276
Molecular FormulaC13H6F4N2
Molecular Weight266.20 g/mol
Exact Mass266.05
IUPAC Name4,5,6,7-tetrafluoro-3-phenyl-1H-indazole
SMILESFc1c(F)c(F)c2c(-c3ccccc3)n[nH]c2c1F
InChIInChI=1S/C13H6F4N2/c14-8-7-12(6-4-2-1-3-5-6)18-19-13(7)11(17)10(16)9(8)15/h1-5H,(H,18,19)
InChIKeyZOHAHOLLCJUXBD-UHFFFAOYSA-N
XLogP3.79
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrafluoro-3-phenyl-1H-indazole?
The IUPAC name of 4,5,6,7-tetrafluoro-3-phenyl-1H-indazole (CID 4523276) is 4,5,6,7-tetrafluoro-3-phenyl-1H-indazole.
What is the SMILES notation for 4,5,6,7-tetrafluoro-3-phenyl-1H-indazole?
The canonical SMILES for 4,5,6,7-tetrafluoro-3-phenyl-1H-indazole is Fc1c(F)c(F)c2c(-c3ccccc3)n[nH]c2c1F.
What is the InChIKey of 4,5,6,7-tetrafluoro-3-phenyl-1H-indazole?
The InChIKey is ZOHAHOLLCJUXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F4N2/c14-8-7-12(6-4-2-1-3-5-6)18-19-13(7)11(17)10(16)9(8)15/h1-5H,(H,18,19).
What are the key properties of 4,5,6,7-tetrafluoro-3-phenyl-1H-indazole?
4,5,6,7-tetrafluoro-3-phenyl-1H-indazole has a molecular weight of 266.20 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrafluoro-3-phenyl-1H-indazole is sourced from PubChem (CID 4523276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).