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

C22H14F6N2O — CID 11662055

IUPAC3-phenyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)indazole
SMILESFC(F)(F)Oc1cccc(Cn2nc3c(C(F)(F)F)cccc3c2-c2ccccc2)c1
InChIInChI=1S/C22H14F6N2O/c23-21(24,25)18-11-5-10-17-19(18)29-30(20(17)15-7-2-1-3-8-15)13-14-6-4-9-16(12-14)31-22(26,27)28/h1-12H,13H2
InChIKeyFTSCMTSOGXWXIY-UHFFFAOYSA-N
MW436.36 g/mol
LogP6.67
Rot. Bonds4

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

3-phenyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)indazole (PubChem CID 11662055) has the molecular formula C22H14F6N2O and a molecular weight of 436.36 g/mol. Its IUPAC name is 3-phenyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)indazole.

Molecular Properties

Compound Name3-phenyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)indazole
PubChem CID11662055
Molecular FormulaC22H14F6N2O
Molecular Weight436.36 g/mol
Exact Mass436.10
IUPAC Name3-phenyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)indazole
SMILESFC(F)(F)Oc1cccc(Cn2nc3c(C(F)(F)F)cccc3c2-c2ccccc2)c1
InChIInChI=1S/C22H14F6N2O/c23-21(24,25)18-11-5-10-17-19(18)29-30(20(17)15-7-2-1-3-8-15)13-14-6-4-9-16(12-14)31-22(26,27)28/h1-12H,13H2
InChIKeyFTSCMTSOGXWXIY-UHFFFAOYSA-N
XLogP6.67
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.36
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)indazole?
The IUPAC name of 3-phenyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)indazole (CID 11662055) is 3-phenyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)indazole.
What is the SMILES notation for 3-phenyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)indazole?
The canonical SMILES for 3-phenyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)indazole is FC(F)(F)Oc1cccc(Cn2nc3c(C(F)(F)F)cccc3c2-c2ccccc2)c1.
What is the InChIKey of 3-phenyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)indazole?
The InChIKey is FTSCMTSOGXWXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F6N2O/c23-21(24,25)18-11-5-10-17-19(18)29-30(20(17)15-7-2-1-3-8-15)13-14-6-4-9-16(12-14)31-22(26,27)28/h1-12H,13H2.
What are the key properties of 3-phenyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)indazole?
3-phenyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)indazole has a molecular weight of 436.36 g/mol, XLogP of 6.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)indazole is sourced from PubChem (CID 11662055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).