2-[[2-(difluoromethoxy)phenyl]methyl]-3-phenyl-7-(trifluoromethyl)indazole

C22H15F5N2O — CID 11495406

IUPAC2-[[2-(difluoromethoxy)phenyl]methyl]-3-phenyl-7-(trifluoromethyl)indazole
SMILESFC(F)Oc1ccccc1Cn1nc2c(C(F)(F)F)cccc2c1-c1ccccc1
InChIInChI=1S/C22H15F5N2O/c23-21(24)30-18-12-5-4-9-15(18)13-29-20(14-7-2-1-3-8-14)16-10-6-11-17(19(16)28-29)22(25,26)27/h1-12,21H,13H2
InChIKeyNGNYQPKWBQRNMO-UHFFFAOYSA-N
MW418.37 g/mol
LogP6.37
Rot. Bonds5

About 2-[[2-(difluoromethoxy)phenyl]methyl]-3-phenyl-7-(trifluoromethyl)indazole

2-[[2-(difluoromethoxy)phenyl]methyl]-3-phenyl-7-(trifluoromethyl)indazole (PubChem CID 11495406) has the molecular formula C22H15F5N2O and a molecular weight of 418.37 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)phenyl]methyl]-3-phenyl-7-(trifluoromethyl)indazole.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)phenyl]methyl]-3-phenyl-7-(trifluoromethyl)indazole
PubChem CID11495406
Molecular FormulaC22H15F5N2O
Molecular Weight418.37 g/mol
Exact Mass418.11
IUPAC Name2-[[2-(difluoromethoxy)phenyl]methyl]-3-phenyl-7-(trifluoromethyl)indazole
SMILESFC(F)Oc1ccccc1Cn1nc2c(C(F)(F)F)cccc2c1-c1ccccc1
InChIInChI=1S/C22H15F5N2O/c23-21(24)30-18-12-5-4-9-15(18)13-29-20(14-7-2-1-3-8-14)16-10-6-11-17(19(16)28-29)22(25,26)27/h1-12,21H,13H2
InChIKeyNGNYQPKWBQRNMO-UHFFFAOYSA-N
XLogP6.37
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.37
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethoxy)phenyl]methyl]-3-phenyl-7-(trifluoromethyl)indazole?
The IUPAC name of 2-[[2-(difluoromethoxy)phenyl]methyl]-3-phenyl-7-(trifluoromethyl)indazole (CID 11495406) is 2-[[2-(difluoromethoxy)phenyl]methyl]-3-phenyl-7-(trifluoromethyl)indazole.
What is the SMILES notation for 2-[[2-(difluoromethoxy)phenyl]methyl]-3-phenyl-7-(trifluoromethyl)indazole?
The canonical SMILES for 2-[[2-(difluoromethoxy)phenyl]methyl]-3-phenyl-7-(trifluoromethyl)indazole is FC(F)Oc1ccccc1Cn1nc2c(C(F)(F)F)cccc2c1-c1ccccc1.
What is the InChIKey of 2-[[2-(difluoromethoxy)phenyl]methyl]-3-phenyl-7-(trifluoromethyl)indazole?
The InChIKey is NGNYQPKWBQRNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F5N2O/c23-21(24)30-18-12-5-4-9-15(18)13-29-20(14-7-2-1-3-8-14)16-10-6-11-17(19(16)28-29)22(25,26)27/h1-12,21H,13H2.
What are the key properties of 2-[[2-(difluoromethoxy)phenyl]methyl]-3-phenyl-7-(trifluoromethyl)indazole?
2-[[2-(difluoromethoxy)phenyl]methyl]-3-phenyl-7-(trifluoromethyl)indazole has a molecular weight of 418.37 g/mol, XLogP of 6.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethoxy)phenyl]methyl]-3-phenyl-7-(trifluoromethyl)indazole is sourced from PubChem (CID 11495406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).