1,3-bis[3-(trifluoromethyl)phenyl]indazole

C21H12F6N2 — CID 21044944

IUPAC1,3-bis[3-(trifluoromethyl)phenyl]indazole
SMILESFC(F)(F)c1cccc(-c2nn(-c3cccc(C(F)(F)F)c3)c3ccccc23)c1
InChIInChI=1S/C21H12F6N2/c22-20(23,24)14-6-3-5-13(11-14)19-17-9-1-2-10-18(17)29(28-19)16-8-4-7-15(12-16)21(25,26)27/h1-12H
InChIKeyUQXLVTYZHPFZPT-UHFFFAOYSA-N
MW406.33 g/mol
LogP6.73
Rot. Bonds2

About 1,3-bis[3-(trifluoromethyl)phenyl]indazole

1,3-bis[3-(trifluoromethyl)phenyl]indazole (PubChem CID 21044944) has the molecular formula C21H12F6N2 and a molecular weight of 406.33 g/mol. Its IUPAC name is 1,3-bis[3-(trifluoromethyl)phenyl]indazole.

Molecular Properties

Compound Name1,3-bis[3-(trifluoromethyl)phenyl]indazole
PubChem CID21044944
Molecular FormulaC21H12F6N2
Molecular Weight406.33 g/mol
Exact Mass406.09
IUPAC Name1,3-bis[3-(trifluoromethyl)phenyl]indazole
SMILESFC(F)(F)c1cccc(-c2nn(-c3cccc(C(F)(F)F)c3)c3ccccc23)c1
InChIInChI=1S/C21H12F6N2/c22-20(23,24)14-6-3-5-13(11-14)19-17-9-1-2-10-18(17)29(28-19)16-8-4-7-15(12-16)21(25,26)27/h1-12H
InChIKeyUQXLVTYZHPFZPT-UHFFFAOYSA-N
XLogP6.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.33
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-1-[4-(trifluoromethyl)phenyl]indazole
CID 102441291
1-(oxan-4-yl)-4-[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]pyridin-2-one
CID 176747636
1-[3-(trifluoromethyl)phenyl]indazole
CID 21044942
5-bromo-3-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
CID 123551348
1-[3-[3-(trifluoromethyl)phenyl]phenyl]benzimidazole
CID 18957886
1-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 71287829
4-[3-(trifluoromethyl)phenyl]-2H-phthalazine-1-thione
CID 106516682
9-[4-[10-[3-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58163316
1-phenyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 4593193
2-[3-(trifluoromethyl)phenyl]phthalazin-1-one
CID 2380587
4-(3-bromophenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 100560928
3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3358302

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[3-(trifluoromethyl)phenyl]indazole?
The IUPAC name of 1,3-bis[3-(trifluoromethyl)phenyl]indazole (CID 21044944) is 1,3-bis[3-(trifluoromethyl)phenyl]indazole.
What is the SMILES notation for 1,3-bis[3-(trifluoromethyl)phenyl]indazole?
The canonical SMILES for 1,3-bis[3-(trifluoromethyl)phenyl]indazole is FC(F)(F)c1cccc(-c2nn(-c3cccc(C(F)(F)F)c3)c3ccccc23)c1.
What is the InChIKey of 1,3-bis[3-(trifluoromethyl)phenyl]indazole?
The InChIKey is UQXLVTYZHPFZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F6N2/c22-20(23,24)14-6-3-5-13(11-14)19-17-9-1-2-10-18(17)29(28-19)16-8-4-7-15(12-16)21(25,26)27/h1-12H.
What are the key properties of 1,3-bis[3-(trifluoromethyl)phenyl]indazole?
1,3-bis[3-(trifluoromethyl)phenyl]indazole has a molecular weight of 406.33 g/mol, XLogP of 6.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[3-(trifluoromethyl)phenyl]indazole is sourced from PubChem (CID 21044944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).