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

C8HF7N2 — CID 46227871

IUPAC4,5,6,7-tetrafluoro-3-(trifluoromethyl)-2H-indazole
SMILESFc1c(F)c(F)c2c(C(F)(F)F)[nH]nc2c1F
InChIInChI=1S/C8HF7N2/c9-2-1-6(5(12)4(11)3(2)10)16-17-7(1)8(13,14)15/h(H,16,17)
InChIKeyNNMZRNJTHCMELD-UHFFFAOYSA-N
MW258.10 g/mol
LogP3.14
Rot. Bonds

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

4,5,6,7-tetrafluoro-3-(trifluoromethyl)-2H-indazole (PubChem CID 46227871) has the molecular formula C8HF7N2 and a molecular weight of 258.10 g/mol. Its IUPAC name is 4,5,6,7-tetrafluoro-3-(trifluoromethyl)-2H-indazole.

Molecular Properties

Compound Name4,5,6,7-tetrafluoro-3-(trifluoromethyl)-2H-indazole
PubChem CID46227871
Molecular FormulaC8HF7N2
Molecular Weight258.10 g/mol
Exact Mass258.00
IUPAC Name4,5,6,7-tetrafluoro-3-(trifluoromethyl)-2H-indazole
SMILESFc1c(F)c(F)c2c(C(F)(F)F)[nH]nc2c1F
InChIInChI=1S/C8HF7N2/c9-2-1-6(5(12)4(11)3(2)10)16-17-7(1)8(13,14)15/h(H,16,17)
InChIKeyNNMZRNJTHCMELD-UHFFFAOYSA-N
XLogP3.14
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 53.14
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'}

Analyze 4,5,6,7-tetrafluoro-3-(trifluoromethyl)-2H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrafluoro-3-(trifluoromethyl)-2H-indazole?
The IUPAC name of 4,5,6,7-tetrafluoro-3-(trifluoromethyl)-2H-indazole (CID 46227871) is 4,5,6,7-tetrafluoro-3-(trifluoromethyl)-2H-indazole.
What is the SMILES notation for 4,5,6,7-tetrafluoro-3-(trifluoromethyl)-2H-indazole?
The canonical SMILES for 4,5,6,7-tetrafluoro-3-(trifluoromethyl)-2H-indazole is Fc1c(F)c(F)c2c(C(F)(F)F)[nH]nc2c1F.
What is the InChIKey of 4,5,6,7-tetrafluoro-3-(trifluoromethyl)-2H-indazole?
The InChIKey is NNMZRNJTHCMELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HF7N2/c9-2-1-6(5(12)4(11)3(2)10)16-17-7(1)8(13,14)15/h(H,16,17).
What are the key properties of 4,5,6,7-tetrafluoro-3-(trifluoromethyl)-2H-indazole?
4,5,6,7-tetrafluoro-3-(trifluoromethyl)-2H-indazole has a molecular weight of 258.10 g/mol, XLogP of 3.14, 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-(trifluoromethyl)-2H-indazole is sourced from PubChem (CID 46227871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).