4-fluoro-5-[2-(trifluoromethyl)phenyl]-1H-indazole

C14H8F4N2 — CID 90645454

IUPAC4-fluoro-5-[2-(trifluoromethyl)phenyl]-1H-indazole
SMILESFc1c(-c2ccccc2C(F)(F)F)ccc2[nH]ncc12
InChIInChI=1S/C14H8F4N2/c15-13-9(5-6-12-10(13)7-19-20-12)8-3-1-2-4-11(8)14(16,17)18/h1-7H,(H,19,20)
InChIKeyXTEOOQGHFDZVDI-UHFFFAOYSA-N
MW280.22 g/mol
LogP4.39
Rot. Bonds1

About 4-fluoro-5-[2-(trifluoromethyl)phenyl]-1H-indazole

4-fluoro-5-[2-(trifluoromethyl)phenyl]-1H-indazole (PubChem CID 90645454) has the molecular formula C14H8F4N2 and a molecular weight of 280.22 g/mol. Its IUPAC name is 4-fluoro-5-[2-(trifluoromethyl)phenyl]-1H-indazole.

Molecular Properties

Compound Name4-fluoro-5-[2-(trifluoromethyl)phenyl]-1H-indazole
PubChem CID90645454
Molecular FormulaC14H8F4N2
Molecular Weight280.22 g/mol
Exact Mass280.06
IUPAC Name4-fluoro-5-[2-(trifluoromethyl)phenyl]-1H-indazole
SMILESFc1c(-c2ccccc2C(F)(F)F)ccc2[nH]ncc12
InChIInChI=1S/C14H8F4N2/c15-13-9(5-6-12-10(13)7-19-20-12)8-3-1-2-4-11(8)14(16,17)18/h1-7H,(H,19,20)
InChIKeyXTEOOQGHFDZVDI-UHFFFAOYSA-N
XLogP4.39
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The IUPAC name of 4-fluoro-5-[2-(trifluoromethyl)phenyl]-1H-indazole (CID 90645454) is 4-fluoro-5-[2-(trifluoromethyl)phenyl]-1H-indazole.
What is the SMILES notation for 4-fluoro-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The canonical SMILES for 4-fluoro-5-[2-(trifluoromethyl)phenyl]-1H-indazole is Fc1c(-c2ccccc2C(F)(F)F)ccc2[nH]ncc12.
What is the InChIKey of 4-fluoro-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The InChIKey is XTEOOQGHFDZVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N2/c15-13-9(5-6-12-10(13)7-19-20-12)8-3-1-2-4-11(8)14(16,17)18/h1-7H,(H,19,20).
What are the key properties of 4-fluoro-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
4-fluoro-5-[2-(trifluoromethyl)phenyl]-1H-indazole has a molecular weight of 280.22 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-[2-(trifluoromethyl)phenyl]-1H-indazole is sourced from PubChem (CID 90645454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).