4,5,6,7-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-2H-indazole

C13HF9N2 — CID 44622822

IUPAC4,5,6,7-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-2H-indazole
SMILESFc1c(F)c(F)c(-c2[nH]nc3c(F)c(F)c(F)c(F)c23)c(F)c1F
InChIInChI=1S/C13HF9N2/c14-3-1(4(15)7(18)9(20)6(3)17)12-2-5(16)8(19)10(21)11(22)13(2)24-23-12/h(H,23,24)
InChIKeyBLRLNVDCKOMIHM-UHFFFAOYSA-N
MW356.15 g/mol
LogP4.48
Rot. Bonds1

About 4,5,6,7-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-2H-indazole

4,5,6,7-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-2H-indazole (PubChem CID 44622822) has the molecular formula C13HF9N2 and a molecular weight of 356.15 g/mol. Its IUPAC name is 4,5,6,7-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-2H-indazole.

Molecular Properties

Compound Name4,5,6,7-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-2H-indazole
PubChem CID44622822
Molecular FormulaC13HF9N2
Molecular Weight356.15 g/mol
Exact Mass356.00
IUPAC Name4,5,6,7-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-2H-indazole
SMILESFc1c(F)c(F)c(-c2[nH]nc3c(F)c(F)c(F)c(F)c23)c(F)c1F
InChIInChI=1S/C13HF9N2/c14-3-1(4(15)7(18)9(20)6(3)17)12-2-5(16)8(19)10(21)11(22)13(2)24-23-12/h(H,23,24)
InChIKeyBLRLNVDCKOMIHM-UHFFFAOYSA-N
XLogP4.48
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.15
LogP ≤ 54.48
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-(2,3,4,5,6-pentafluorophenyl)-2H-indazole?
The IUPAC name of 4,5,6,7-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-2H-indazole (CID 44622822) is 4,5,6,7-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-2H-indazole.
What is the SMILES notation for 4,5,6,7-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-2H-indazole?
The canonical SMILES for 4,5,6,7-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-2H-indazole is Fc1c(F)c(F)c(-c2[nH]nc3c(F)c(F)c(F)c(F)c23)c(F)c1F.
What is the InChIKey of 4,5,6,7-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-2H-indazole?
The InChIKey is BLRLNVDCKOMIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13HF9N2/c14-3-1(4(15)7(18)9(20)6(3)17)12-2-5(16)8(19)10(21)11(22)13(2)24-23-12/h(H,23,24).
What are the key properties of 4,5,6,7-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-2H-indazole?
4,5,6,7-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-2H-indazole has a molecular weight of 356.15 g/mol, XLogP of 4.48, 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-(2,3,4,5,6-pentafluorophenyl)-2H-indazole is sourced from PubChem (CID 44622822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).