4-phenyl-6-(trifluoromethoxy)-1H-indazole

C14H9F3N2O — CID 127046309

IUPAC4-phenyl-6-(trifluoromethoxy)-1H-indazole
SMILESFC(F)(F)Oc1cc(-c2ccccc2)c2cn[nH]c2c1
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)20-10-6-11(9-4-2-1-3-5-9)12-8-18-19-13(12)7-10/h1-8H,(H,18,19)
InChIKeyATBRTSOQFVTTON-UHFFFAOYSA-N
MW278.23 g/mol
LogP4.13
Rot. Bonds2

About 4-phenyl-6-(trifluoromethoxy)-1H-indazole

4-phenyl-6-(trifluoromethoxy)-1H-indazole (PubChem CID 127046309) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is 4-phenyl-6-(trifluoromethoxy)-1H-indazole.

Molecular Properties

Compound Name4-phenyl-6-(trifluoromethoxy)-1H-indazole
PubChem CID127046309
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Name4-phenyl-6-(trifluoromethoxy)-1H-indazole
SMILESFC(F)(F)Oc1cc(-c2ccccc2)c2cn[nH]c2c1
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)20-10-6-11(9-4-2-1-3-5-9)12-8-18-19-13(12)7-10/h1-8H,(H,18,19)
InChIKeyATBRTSOQFVTTON-UHFFFAOYSA-N
XLogP4.13
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-(trifluoromethoxy)-1H-indazole?
The IUPAC name of 4-phenyl-6-(trifluoromethoxy)-1H-indazole (CID 127046309) is 4-phenyl-6-(trifluoromethoxy)-1H-indazole.
What is the SMILES notation for 4-phenyl-6-(trifluoromethoxy)-1H-indazole?
The canonical SMILES for 4-phenyl-6-(trifluoromethoxy)-1H-indazole is FC(F)(F)Oc1cc(-c2ccccc2)c2cn[nH]c2c1.
What is the InChIKey of 4-phenyl-6-(trifluoromethoxy)-1H-indazole?
The InChIKey is ATBRTSOQFVTTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c15-14(16,17)20-10-6-11(9-4-2-1-3-5-9)12-8-18-19-13(12)7-10/h1-8H,(H,18,19).
What are the key properties of 4-phenyl-6-(trifluoromethoxy)-1H-indazole?
4-phenyl-6-(trifluoromethoxy)-1H-indazole has a molecular weight of 278.23 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-(trifluoromethoxy)-1H-indazole is sourced from PubChem (CID 127046309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).