5-fluoro-3-(trifluoromethyl)-2H-indazole

C8H4F4N2 — CID 83397909

IUPAC5-fluoro-3-(trifluoromethyl)-2H-indazole
SMILESFc1ccc2n[nH]c(C(F)(F)F)c2c1
InChIInChI=1S/C8H4F4N2/c9-4-1-2-6-5(3-4)7(14-13-6)8(10,11)12/h1-3H,(H,13,14)
InChIKeyLSKAUCQZOIBRAA-UHFFFAOYSA-N
MW204.13 g/mol
LogP2.72
Rot. Bonds

About 5-fluoro-3-(trifluoromethyl)-2H-indazole

5-fluoro-3-(trifluoromethyl)-2H-indazole (PubChem CID 83397909) has the molecular formula C8H4F4N2 and a molecular weight of 204.13 g/mol. Its IUPAC name is 5-fluoro-3-(trifluoromethyl)-2H-indazole.

Molecular Properties

Compound Name5-fluoro-3-(trifluoromethyl)-2H-indazole
PubChem CID83397909
Molecular FormulaC8H4F4N2
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name5-fluoro-3-(trifluoromethyl)-2H-indazole
SMILESFc1ccc2n[nH]c(C(F)(F)F)c2c1
InChIInChI=1S/C8H4F4N2/c9-4-1-2-6-5(3-4)7(14-13-6)8(10,11)12/h1-3H,(H,13,14)
InChIKeyLSKAUCQZOIBRAA-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(trifluoromethyl)-2H-indazole?
The IUPAC name of 5-fluoro-3-(trifluoromethyl)-2H-indazole (CID 83397909) is 5-fluoro-3-(trifluoromethyl)-2H-indazole.
What is the SMILES notation for 5-fluoro-3-(trifluoromethyl)-2H-indazole?
The canonical SMILES for 5-fluoro-3-(trifluoromethyl)-2H-indazole is Fc1ccc2n[nH]c(C(F)(F)F)c2c1.
What is the InChIKey of 5-fluoro-3-(trifluoromethyl)-2H-indazole?
The InChIKey is LSKAUCQZOIBRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4N2/c9-4-1-2-6-5(3-4)7(14-13-6)8(10,11)12/h1-3H,(H,13,14).
What are the key properties of 5-fluoro-3-(trifluoromethyl)-2H-indazole?
5-fluoro-3-(trifluoromethyl)-2H-indazole has a molecular weight of 204.13 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(trifluoromethyl)-2H-indazole is sourced from PubChem (CID 83397909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).