1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazole

C15H9Cl2F3N2 — CID 90733597

IUPAC1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazole
SMILESFC(F)(F)c1ccc2cnn(Cc3ccc(Cl)cc3Cl)c2c1
InChIInChI=1S/C15H9Cl2F3N2/c16-12-4-2-10(13(17)6-12)8-22-14-5-11(15(18,19)20)3-1-9(14)7-21-22/h1-7H,8H2
InChIKeyFUZIZTUYHCQWLS-UHFFFAOYSA-N
MW345.15 g/mol
LogP5.41
Rot. Bonds2

About 1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazole

1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazole (PubChem CID 90733597) has the molecular formula C15H9Cl2F3N2 and a molecular weight of 345.15 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazole.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazole
PubChem CID90733597
Molecular FormulaC15H9Cl2F3N2
Molecular Weight345.15 g/mol
Exact Mass344.01
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazole
SMILESFC(F)(F)c1ccc2cnn(Cc3ccc(Cl)cc3Cl)c2c1
InChIInChI=1S/C15H9Cl2F3N2/c16-12-4-2-10(13(17)6-12)8-22-14-5-11(15(18,19)20)3-1-9(14)7-21-22/h1-7H,8H2
InChIKeyFUZIZTUYHCQWLS-UHFFFAOYSA-N
XLogP5.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.15
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazole?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazole (CID 90733597) is 1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazole.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazole?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazole is FC(F)(F)c1ccc2cnn(Cc3ccc(Cl)cc3Cl)c2c1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazole?
The InChIKey is FUZIZTUYHCQWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F3N2/c16-12-4-2-10(13(17)6-12)8-22-14-5-11(15(18,19)20)3-1-9(14)7-21-22/h1-7H,8H2.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazole?
1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazole has a molecular weight of 345.15 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazole is sourced from PubChem (CID 90733597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).