4,5,6,7-tetrafluoro-3-methyl-2H-indazole

C8H4F4N2 — CID 10726859

IUPAC4,5,6,7-tetrafluoro-3-methyl-2H-indazole
SMILESCc1[nH]nc2c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C8H4F4N2/c1-2-3-4(9)5(10)6(11)7(12)8(3)14-13-2/h1H3,(H,13,14)
InChIKeyMEHLPQAUVAMMPE-UHFFFAOYSA-N
MW204.13 g/mol
LogP2.43
Rot. Bonds

About 4,5,6,7-tetrafluoro-3-methyl-2H-indazole

4,5,6,7-tetrafluoro-3-methyl-2H-indazole (PubChem CID 10726859) has the molecular formula C8H4F4N2 and a molecular weight of 204.13 g/mol. Its IUPAC name is 4,5,6,7-tetrafluoro-3-methyl-2H-indazole.

Molecular Properties

Compound Name4,5,6,7-tetrafluoro-3-methyl-2H-indazole
PubChem CID10726859
Molecular FormulaC8H4F4N2
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name4,5,6,7-tetrafluoro-3-methyl-2H-indazole
SMILESCc1[nH]nc2c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C8H4F4N2/c1-2-3-4(9)5(10)6(11)7(12)8(3)14-13-2/h1H3,(H,13,14)
InChIKeyMEHLPQAUVAMMPE-UHFFFAOYSA-N
XLogP2.43
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 52.43
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-methyl-2H-indazole?
The IUPAC name of 4,5,6,7-tetrafluoro-3-methyl-2H-indazole (CID 10726859) is 4,5,6,7-tetrafluoro-3-methyl-2H-indazole.
What is the SMILES notation for 4,5,6,7-tetrafluoro-3-methyl-2H-indazole?
The canonical SMILES for 4,5,6,7-tetrafluoro-3-methyl-2H-indazole is Cc1[nH]nc2c(F)c(F)c(F)c(F)c12.
What is the InChIKey of 4,5,6,7-tetrafluoro-3-methyl-2H-indazole?
The InChIKey is MEHLPQAUVAMMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4N2/c1-2-3-4(9)5(10)6(11)7(12)8(3)14-13-2/h1H3,(H,13,14).
What are the key properties of 4,5,6,7-tetrafluoro-3-methyl-2H-indazole?
4,5,6,7-tetrafluoro-3-methyl-2H-indazole has a molecular weight of 204.13 g/mol, XLogP of 2.43, 0 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-methyl-2H-indazole is sourced from PubChem (CID 10726859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).