(4,5,6,7-tetrafluoro-3-methylindazol-1-yl)-bis[4,5,6,7-tetrafluoro-3-(trifluoromethyl)indazol-1-yl]borane

C24H3BF18N6 — CID 174150713

IUPAC(4,5,6,7-tetrafluoro-3-methylindazol-1-yl)-bis[4,5,6,7-tetrafluoro-3-(trifluoromethyl)indazol-1-yl]borane
SMILESCc1nn(B(n2nc(C(F)(F)F)c3c(F)c(F)c(F)c(F)c32)n2nc(C(F)(F)F)c3c(F)c(F)c(F)c(F)c32)c2c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C24H3BF18N6/c1-2-3-6(26)9(29)12(32)15(35)18(3)47(44-2)25(48-19-4(21(45-48)23(38,39)40)7(27)10(30)13(33)16(19)36)49-20-5(22(46-49)24(41,42)43)8(28)11(31)14(34)17(20)37/h1H3
InChIKeyXWJNBZOSYIAGQF-UHFFFAOYSA-N
MW728.11 g/mol
LogP7.68
Rot. Bonds3

About (4,5,6,7-tetrafluoro-3-methylindazol-1-yl)-bis[4,5,6,7-tetrafluoro-3-(trifluoromethyl)indazol-1-yl]borane

(4,5,6,7-tetrafluoro-3-methylindazol-1-yl)-bis[4,5,6,7-tetrafluoro-3-(trifluoromethyl)indazol-1-yl]borane (PubChem CID 174150713) has the molecular formula C24H3BF18N6 and a molecular weight of 728.11 g/mol. Its IUPAC name is (4,5,6,7-tetrafluoro-3-methylindazol-1-yl)-bis[4,5,6,7-tetrafluoro-3-(trifluoromethyl)indazol-1-yl]borane.

Molecular Properties

Compound Name(4,5,6,7-tetrafluoro-3-methylindazol-1-yl)-bis[4,5,6,7-tetrafluoro-3-(trifluoromethyl)indazol-1-yl]borane
PubChem CID174150713
Molecular FormulaC24H3BF18N6
Molecular Weight728.11 g/mol
Exact Mass728.02
IUPAC Name(4,5,6,7-tetrafluoro-3-methylindazol-1-yl)-bis[4,5,6,7-tetrafluoro-3-(trifluoromethyl)indazol-1-yl]borane
SMILESCc1nn(B(n2nc(C(F)(F)F)c3c(F)c(F)c(F)c(F)c32)n2nc(C(F)(F)F)c3c(F)c(F)c(F)c(F)c32)c2c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C24H3BF18N6/c1-2-3-6(26)9(29)12(32)15(35)18(3)47(44-2)25(48-19-4(21(45-48)23(38,39)40)7(27)10(30)13(33)16(19)36)49-20-5(22(46-49)24(41,42)43)8(28)11(31)14(34)17(20)37/h1H3
InChIKeyXWJNBZOSYIAGQF-UHFFFAOYSA-N
XLogP7.68
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.11
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (4,5,6,7-tetrafluoro-3-methylindazol-1-yl)-bis[4,5,6,7-tetrafluoro-3-(trifluoromethyl)indazol-1-yl]borane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4,5,6,7-tetrafluoro-3-methylindazol-1-yl)-bis[4,5,6,7-tetrafluoro-3-(trifluoromethyl)indazol-1-yl]borane?
The IUPAC name of (4,5,6,7-tetrafluoro-3-methylindazol-1-yl)-bis[4,5,6,7-tetrafluoro-3-(trifluoromethyl)indazol-1-yl]borane (CID 174150713) is (4,5,6,7-tetrafluoro-3-methylindazol-1-yl)-bis[4,5,6,7-tetrafluoro-3-(trifluoromethyl)indazol-1-yl]borane.
What is the SMILES notation for (4,5,6,7-tetrafluoro-3-methylindazol-1-yl)-bis[4,5,6,7-tetrafluoro-3-(trifluoromethyl)indazol-1-yl]borane?
The canonical SMILES for (4,5,6,7-tetrafluoro-3-methylindazol-1-yl)-bis[4,5,6,7-tetrafluoro-3-(trifluoromethyl)indazol-1-yl]borane is Cc1nn(B(n2nc(C(F)(F)F)c3c(F)c(F)c(F)c(F)c32)n2nc(C(F)(F)F)c3c(F)c(F)c(F)c(F)c32)c2c(F)c(F)c(F)c(F)c12.
What is the InChIKey of (4,5,6,7-tetrafluoro-3-methylindazol-1-yl)-bis[4,5,6,7-tetrafluoro-3-(trifluoromethyl)indazol-1-yl]borane?
The InChIKey is XWJNBZOSYIAGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H3BF18N6/c1-2-3-6(26)9(29)12(32)15(35)18(3)47(44-2)25(48-19-4(21(45-48)23(38,39)40)7(27)10(30)13(33)16(19)36)49-20-5(22(46-49)24(41,42)43)8(28)11(31)14(34)17(20)37/h1H3.
What are the key properties of (4,5,6,7-tetrafluoro-3-methylindazol-1-yl)-bis[4,5,6,7-tetrafluoro-3-(trifluoromethyl)indazol-1-yl]borane?
(4,5,6,7-tetrafluoro-3-methylindazol-1-yl)-bis[4,5,6,7-tetrafluoro-3-(trifluoromethyl)indazol-1-yl]borane has a molecular weight of 728.11 g/mol, XLogP of 7.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5,6,7-tetrafluoro-3-methylindazol-1-yl)-bis[4,5,6,7-tetrafluoro-3-(trifluoromethyl)indazol-1-yl]borane is sourced from PubChem (CID 174150713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).