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

C21H13F5N2 — CID 25137980

IUPAC3-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)indazole
SMILESFc1ccc(Cn2nc3c(C(F)(F)F)cccc3c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C21H13F5N2/c22-15-8-4-13(5-9-15)12-28-20(14-6-10-16(23)11-7-14)17-2-1-3-18(19(17)27-28)21(24,25)26/h1-11H,12H2
InChIKeyBKPFNLPLHXLDDZ-UHFFFAOYSA-N
MW388.34 g/mol
LogP6.05
Rot. Bonds3

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

3-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)indazole (PubChem CID 25137980) has the molecular formula C21H13F5N2 and a molecular weight of 388.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)indazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)indazole
PubChem CID25137980
Molecular FormulaC21H13F5N2
Molecular Weight388.34 g/mol
Exact Mass388.10
IUPAC Name3-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)indazole
SMILESFc1ccc(Cn2nc3c(C(F)(F)F)cccc3c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C21H13F5N2/c22-15-8-4-13(5-9-15)12-28-20(14-6-10-16(23)11-7-14)17-2-1-3-18(19(17)27-28)21(24,25)26/h1-11H,12H2
InChIKeyBKPFNLPLHXLDDZ-UHFFFAOYSA-N
XLogP6.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.34
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)indazole?
The IUPAC name of 3-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)indazole (CID 25137980) is 3-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)indazole.
What is the SMILES notation for 3-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)indazole?
The canonical SMILES for 3-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)indazole is Fc1ccc(Cn2nc3c(C(F)(F)F)cccc3c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)indazole?
The InChIKey is BKPFNLPLHXLDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F5N2/c22-15-8-4-13(5-9-15)12-28-20(14-6-10-16(23)11-7-14)17-2-1-3-18(19(17)27-28)21(24,25)26/h1-11H,12H2.
What are the key properties of 3-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)indazole?
3-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)indazole has a molecular weight of 388.34 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)indazole is sourced from PubChem (CID 25137980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).