2-(difluoromethyl)-4-(3,5-difluoro-4-methylphenyl)indazole

C15H10F4N2 — CID 166076432

IUPAC2-(difluoromethyl)-4-(3,5-difluoro-4-methylphenyl)indazole
SMILESCc1c(F)cc(-c2cccc3nn(C(F)F)cc23)cc1F
InChIInChI=1S/C15H10F4N2/c1-8-12(16)5-9(6-13(8)17)10-3-2-4-14-11(10)7-21(20-14)15(18)19/h2-7,15H,1H3
InChIKeyZLCYTIWBFGRSRI-UHFFFAOYSA-N
MW294.25 g/mol
LogP4.69
Rot. Bonds2

About 2-(difluoromethyl)-4-(3,5-difluoro-4-methylphenyl)indazole

2-(difluoromethyl)-4-(3,5-difluoro-4-methylphenyl)indazole (PubChem CID 166076432) has the molecular formula C15H10F4N2 and a molecular weight of 294.25 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-(3,5-difluoro-4-methylphenyl)indazole.

Molecular Properties

Compound Name2-(difluoromethyl)-4-(3,5-difluoro-4-methylphenyl)indazole
PubChem CID166076432
Molecular FormulaC15H10F4N2
Molecular Weight294.25 g/mol
Exact Mass294.08
IUPAC Name2-(difluoromethyl)-4-(3,5-difluoro-4-methylphenyl)indazole
SMILESCc1c(F)cc(-c2cccc3nn(C(F)F)cc23)cc1F
InChIInChI=1S/C15H10F4N2/c1-8-12(16)5-9(6-13(8)17)10-3-2-4-14-11(10)7-21(20-14)15(18)19/h2-7,15H,1H3
InChIKeyZLCYTIWBFGRSRI-UHFFFAOYSA-N
XLogP4.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-(3,5-difluoro-4-methylphenyl)indazole?
The IUPAC name of 2-(difluoromethyl)-4-(3,5-difluoro-4-methylphenyl)indazole (CID 166076432) is 2-(difluoromethyl)-4-(3,5-difluoro-4-methylphenyl)indazole.
What is the SMILES notation for 2-(difluoromethyl)-4-(3,5-difluoro-4-methylphenyl)indazole?
The canonical SMILES for 2-(difluoromethyl)-4-(3,5-difluoro-4-methylphenyl)indazole is Cc1c(F)cc(-c2cccc3nn(C(F)F)cc23)cc1F.
What is the InChIKey of 2-(difluoromethyl)-4-(3,5-difluoro-4-methylphenyl)indazole?
The InChIKey is ZLCYTIWBFGRSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2/c1-8-12(16)5-9(6-13(8)17)10-3-2-4-14-11(10)7-21(20-14)15(18)19/h2-7,15H,1H3.
What are the key properties of 2-(difluoromethyl)-4-(3,5-difluoro-4-methylphenyl)indazole?
2-(difluoromethyl)-4-(3,5-difluoro-4-methylphenyl)indazole has a molecular weight of 294.25 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-(3,5-difluoro-4-methylphenyl)indazole is sourced from PubChem (CID 166076432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).