4,5,6,7-tetrafluoro-1,3-diphenylindazole

C19H10F4N2 — CID 830139

IUPAC4,5,6,7-tetrafluoro-1,3-diphenylindazole
SMILESFc1c(F)c(F)c2c(c(-c3ccccc3)nn2-c2ccccc2)c1F
InChIInChI=1S/C19H10F4N2/c20-14-13-18(11-7-3-1-4-8-11)24-25(12-9-5-2-6-10-12)19(13)17(23)16(22)15(14)21/h1-10H
InChIKeyASUYPKCJDMZYTD-UHFFFAOYSA-N
MW342.30 g/mol
LogP5.25
Rot. Bonds2

About 4,5,6,7-tetrafluoro-1,3-diphenylindazole

4,5,6,7-tetrafluoro-1,3-diphenylindazole (PubChem CID 830139) has the molecular formula C19H10F4N2 and a molecular weight of 342.30 g/mol. Its IUPAC name is 4,5,6,7-tetrafluoro-1,3-diphenylindazole.

Molecular Properties

Compound Name4,5,6,7-tetrafluoro-1,3-diphenylindazole
PubChem CID830139
Molecular FormulaC19H10F4N2
Molecular Weight342.30 g/mol
Exact Mass342.08
IUPAC Name4,5,6,7-tetrafluoro-1,3-diphenylindazole
SMILESFc1c(F)c(F)c2c(c(-c3ccccc3)nn2-c2ccccc2)c1F
InChIInChI=1S/C19H10F4N2/c20-14-13-18(11-7-3-1-4-8-11)24-25(12-9-5-2-6-10-12)19(13)17(23)16(22)15(14)21/h1-10H
InChIKeyASUYPKCJDMZYTD-UHFFFAOYSA-N
XLogP5.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.30
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-1,3-diphenylindazole?
The IUPAC name of 4,5,6,7-tetrafluoro-1,3-diphenylindazole (CID 830139) is 4,5,6,7-tetrafluoro-1,3-diphenylindazole.
What is the SMILES notation for 4,5,6,7-tetrafluoro-1,3-diphenylindazole?
The canonical SMILES for 4,5,6,7-tetrafluoro-1,3-diphenylindazole is Fc1c(F)c(F)c2c(c(-c3ccccc3)nn2-c2ccccc2)c1F.
What is the InChIKey of 4,5,6,7-tetrafluoro-1,3-diphenylindazole?
The InChIKey is ASUYPKCJDMZYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F4N2/c20-14-13-18(11-7-3-1-4-8-11)24-25(12-9-5-2-6-10-12)19(13)17(23)16(22)15(14)21/h1-10H.
What are the key properties of 4,5,6,7-tetrafluoro-1,3-diphenylindazole?
4,5,6,7-tetrafluoro-1,3-diphenylindazole has a molecular weight of 342.30 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrafluoro-1,3-diphenylindazole is sourced from PubChem (CID 830139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).