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

C15H9F5N2 — CID 90645464

IUPAC6-(difluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-indazole
SMILESFC(F)c1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H9F5N2/c16-14(17)11-6-13-8(7-21-22-13)5-10(11)9-3-1-2-4-12(9)15(18,19)20/h1-7,14H,(H,21,22)
InChIKeyPVRXMDUFHCZPHZ-UHFFFAOYSA-N
MW312.24 g/mol
LogP5.19
Rot. Bonds2

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

6-(difluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-indazole (PubChem CID 90645464) has the molecular formula C15H9F5N2 and a molecular weight of 312.24 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-indazole.

Molecular Properties

Compound Name6-(difluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-indazole
PubChem CID90645464
Molecular FormulaC15H9F5N2
Molecular Weight312.24 g/mol
Exact Mass312.07
IUPAC Name6-(difluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-indazole
SMILESFC(F)c1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H9F5N2/c16-14(17)11-6-13-8(7-21-22-13)5-10(11)9-3-1-2-4-12(9)15(18,19)20/h1-7,14H,(H,21,22)
InChIKeyPVRXMDUFHCZPHZ-UHFFFAOYSA-N
XLogP5.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.24
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The IUPAC name of 6-(difluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-indazole (CID 90645464) is 6-(difluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-indazole.
What is the SMILES notation for 6-(difluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The canonical SMILES for 6-(difluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-indazole is FC(F)c1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 6-(difluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The InChIKey is PVRXMDUFHCZPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F5N2/c16-14(17)11-6-13-8(7-21-22-13)5-10(11)9-3-1-2-4-12(9)15(18,19)20/h1-7,14H,(H,21,22).
What are the key properties of 6-(difluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
6-(difluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-indazole has a molecular weight of 312.24 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-indazole is sourced from PubChem (CID 90645464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).