6-(difluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole

C15H9F5N2O — CID 90645471

IUPAC6-(difluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole
SMILESFC(F)Oc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H9F5N2O/c16-14(17)23-13-6-12-8(7-21-22-12)5-10(13)9-3-1-2-4-11(9)15(18,19)20/h1-7,14H,(H,21,22)
InChIKeyBCXNWQDMUUSORS-UHFFFAOYSA-N
MW328.24 g/mol
LogP4.85
Rot. Bonds3

About 6-(difluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole

6-(difluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole (PubChem CID 90645471) has the molecular formula C15H9F5N2O and a molecular weight of 328.24 g/mol. Its IUPAC name is 6-(difluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole.

Molecular Properties

Compound Name6-(difluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole
PubChem CID90645471
Molecular FormulaC15H9F5N2O
Molecular Weight328.24 g/mol
Exact Mass328.06
IUPAC Name6-(difluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole
SMILESFC(F)Oc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H9F5N2O/c16-14(17)23-13-6-12-8(7-21-22-12)5-10(13)9-3-1-2-4-11(9)15(18,19)20/h1-7,14H,(H,21,22)
InChIKeyBCXNWQDMUUSORS-UHFFFAOYSA-N
XLogP4.85
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The IUPAC name of 6-(difluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole (CID 90645471) is 6-(difluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole.
What is the SMILES notation for 6-(difluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The canonical SMILES for 6-(difluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole is FC(F)Oc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 6-(difluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The InChIKey is BCXNWQDMUUSORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F5N2O/c16-14(17)23-13-6-12-8(7-21-22-12)5-10(13)9-3-1-2-4-11(9)15(18,19)20/h1-7,14H,(H,21,22).
What are the key properties of 6-(difluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
6-(difluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole has a molecular weight of 328.24 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole is sourced from PubChem (CID 90645471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).