1-(4-fluorophenyl)-5-[3-(trifluoromethyl)phenyl]indazole

C20H12F4N2 — CID 46830505

IUPAC1-(4-fluorophenyl)-5-[3-(trifluoromethyl)phenyl]indazole
SMILESFc1ccc(-n2ncc3cc(-c4cccc(C(F)(F)F)c4)ccc32)cc1
InChIInChI=1S/C20H12F4N2/c21-17-5-7-18(8-6-17)26-19-9-4-14(10-15(19)12-25-26)13-2-1-3-16(11-13)20(22,23)24/h1-12H
InChIKeyMBWIUTICWNMOQW-UHFFFAOYSA-N
MW356.32 g/mol
LogP5.85
Rot. Bonds2

About 1-(4-fluorophenyl)-5-[3-(trifluoromethyl)phenyl]indazole

1-(4-fluorophenyl)-5-[3-(trifluoromethyl)phenyl]indazole (PubChem CID 46830505) has the molecular formula C20H12F4N2 and a molecular weight of 356.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[3-(trifluoromethyl)phenyl]indazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[3-(trifluoromethyl)phenyl]indazole
PubChem CID46830505
Molecular FormulaC20H12F4N2
Molecular Weight356.32 g/mol
Exact Mass356.09
IUPAC Name1-(4-fluorophenyl)-5-[3-(trifluoromethyl)phenyl]indazole
SMILESFc1ccc(-n2ncc3cc(-c4cccc(C(F)(F)F)c4)ccc32)cc1
InChIInChI=1S/C20H12F4N2/c21-17-5-7-18(8-6-17)26-19-9-4-14(10-15(19)12-25-26)13-2-1-3-16(11-13)20(22,23)24/h1-12H
InChIKeyMBWIUTICWNMOQW-UHFFFAOYSA-N
XLogP5.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.32
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[3-(trifluoromethyl)phenyl]indazole?
The IUPAC name of 1-(4-fluorophenyl)-5-[3-(trifluoromethyl)phenyl]indazole (CID 46830505) is 1-(4-fluorophenyl)-5-[3-(trifluoromethyl)phenyl]indazole.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[3-(trifluoromethyl)phenyl]indazole?
The canonical SMILES for 1-(4-fluorophenyl)-5-[3-(trifluoromethyl)phenyl]indazole is Fc1ccc(-n2ncc3cc(-c4cccc(C(F)(F)F)c4)ccc32)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[3-(trifluoromethyl)phenyl]indazole?
The InChIKey is MBWIUTICWNMOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4N2/c21-17-5-7-18(8-6-17)26-19-9-4-14(10-15(19)12-25-26)13-2-1-3-16(11-13)20(22,23)24/h1-12H.
What are the key properties of 1-(4-fluorophenyl)-5-[3-(trifluoromethyl)phenyl]indazole?
1-(4-fluorophenyl)-5-[3-(trifluoromethyl)phenyl]indazole has a molecular weight of 356.32 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[3-(trifluoromethyl)phenyl]indazole is sourced from PubChem (CID 46830505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).