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

C21H13ClF4N2 — CID 25137985

IUPAC3-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]-7-(trifluoromethyl)indazole
SMILESFc1ccccc1Cn1nc2c(C(F)(F)F)cccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H13ClF4N2/c22-15-10-8-13(9-11-15)20-16-5-3-6-17(21(24,25)26)19(16)27-28(20)12-14-4-1-2-7-18(14)23/h1-11H,12H2
InChIKeyLMEZNWUTYWBWHN-UHFFFAOYSA-N
MW404.79 g/mol
LogP6.56
Rot. Bonds3

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

3-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]-7-(trifluoromethyl)indazole (PubChem CID 25137985) has the molecular formula C21H13ClF4N2 and a molecular weight of 404.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]-7-(trifluoromethyl)indazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]-7-(trifluoromethyl)indazole
PubChem CID25137985
Molecular FormulaC21H13ClF4N2
Molecular Weight404.79 g/mol
Exact Mass404.07
IUPAC Name3-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]-7-(trifluoromethyl)indazole
SMILESFc1ccccc1Cn1nc2c(C(F)(F)F)cccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H13ClF4N2/c22-15-10-8-13(9-11-15)20-16-5-3-6-17(21(24,25)26)19(16)27-28(20)12-14-4-1-2-7-18(14)23/h1-11H,12H2
InChIKeyLMEZNWUTYWBWHN-UHFFFAOYSA-N
XLogP6.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.79
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]-7-(trifluoromethyl)indazole?
The IUPAC name of 3-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]-7-(trifluoromethyl)indazole (CID 25137985) is 3-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]-7-(trifluoromethyl)indazole.
What is the SMILES notation for 3-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]-7-(trifluoromethyl)indazole?
The canonical SMILES for 3-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]-7-(trifluoromethyl)indazole is Fc1ccccc1Cn1nc2c(C(F)(F)F)cccc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]-7-(trifluoromethyl)indazole?
The InChIKey is LMEZNWUTYWBWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF4N2/c22-15-10-8-13(9-11-15)20-16-5-3-6-17(21(24,25)26)19(16)27-28(20)12-14-4-1-2-7-18(14)23/h1-11H,12H2.
What are the key properties of 3-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]-7-(trifluoromethyl)indazole?
3-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]-7-(trifluoromethyl)indazole has a molecular weight of 404.79 g/mol, XLogP of 6.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]-7-(trifluoromethyl)indazole is sourced from PubChem (CID 25137985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).