3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]indazole

C22H13ClF6N2 — CID 25137986

IUPAC3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]indazole
SMILESFC(F)(F)c1ccccc1Cn1nc2c(C(F)(F)F)cccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H13ClF6N2/c23-15-10-8-13(9-11-15)20-16-5-3-7-18(22(27,28)29)19(16)30-31(20)12-14-4-1-2-6-17(14)21(24,25)26/h1-11H,12H2
InChIKeyCDLBQZJYZMCUBN-UHFFFAOYSA-N
MW454.80 g/mol
LogP7.44
Rot. Bonds3

About 3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]indazole

3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]indazole (PubChem CID 25137986) has the molecular formula C22H13ClF6N2 and a molecular weight of 454.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]indazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]indazole
PubChem CID25137986
Molecular FormulaC22H13ClF6N2
Molecular Weight454.80 g/mol
Exact Mass454.07
IUPAC Name3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]indazole
SMILESFC(F)(F)c1ccccc1Cn1nc2c(C(F)(F)F)cccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H13ClF6N2/c23-15-10-8-13(9-11-15)20-16-5-3-7-18(22(27,28)29)19(16)30-31(20)12-14-4-1-2-6-17(14)21(24,25)26/h1-11H,12H2
InChIKeyCDLBQZJYZMCUBN-UHFFFAOYSA-N
XLogP7.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.80
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]indazole?
The IUPAC name of 3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]indazole (CID 25137986) is 3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]indazole.
What is the SMILES notation for 3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]indazole?
The canonical SMILES for 3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]indazole is FC(F)(F)c1ccccc1Cn1nc2c(C(F)(F)F)cccc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]indazole?
The InChIKey is CDLBQZJYZMCUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClF6N2/c23-15-10-8-13(9-11-15)20-16-5-3-7-18(22(27,28)29)19(16)30-31(20)12-14-4-1-2-6-17(14)21(24,25)26/h1-11H,12H2.
What are the key properties of 3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]indazole?
3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]indazole has a molecular weight of 454.80 g/mol, XLogP of 7.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]indazole is sourced from PubChem (CID 25137986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).