tetrakis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-olate);titanium(4+)

C36H20F24O4Ti — CID 139152759

IUPACtetrakis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-olate);titanium(4+)
SMILES[O-]C(c1ccccc1)(C(F)(F)F)C(F)(F)F.[O-]C(c1ccccc1)(C(F)(F)F)C(F)(F)F.[O-]C(c1ccccc1)(C(F)(F)F)C(F)(F)F.[O-]C(c1ccccc1)(C(F)(F)F)C(F)(F)F.[Ti+4]
InChIInChI=1S/4C9H5F6O.Ti/c4*10-8(11,12)7(16,9(13,14)15)6-4-2-1-3-5-6;/h4*1-5H;/q4*-1;+4
InChIKeyHCERDPBUKQVFCR-UHFFFAOYSA-N
MW1020.37 g/mol
LogP9.46
Rot. Bonds4

About tetrakis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-olate);titanium(4+)

tetrakis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-olate);titanium(4+) (PubChem CID 139152759) has the molecular formula C36H20F24O4Ti and a molecular weight of 1020.37 g/mol. Its IUPAC name is tetrakis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-olate);titanium(4+).

Molecular Properties

Compound Nametetrakis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-olate);titanium(4+)
PubChem CID139152759
Molecular FormulaC36H20F24O4Ti
Molecular Weight1020.37 g/mol
Exact Mass1020.05
IUPAC Nametetrakis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-olate);titanium(4+)
SMILES[O-]C(c1ccccc1)(C(F)(F)F)C(F)(F)F.[O-]C(c1ccccc1)(C(F)(F)F)C(F)(F)F.[O-]C(c1ccccc1)(C(F)(F)F)C(F)(F)F.[O-]C(c1ccccc1)(C(F)(F)F)C(F)(F)F.[Ti+4]
InChIInChI=1S/4C9H5F6O.Ti/c4*10-8(11,12)7(16,9(13,14)15)6-4-2-1-3-5-6;/h4*1-5H;/q4*-1;+4
InChIKeyHCERDPBUKQVFCR-UHFFFAOYSA-N
XLogP9.46
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001020.37
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benzopinacol
CID 94766
1,4-Butanediol, 1,1,4,4-tetraphenyl-
CID 44541
[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)phenyl](diphenyl)methanol
CID 16218249
Bis(triphenylmethyl)peroxide
CID 136387
Triphenylmethyl hydroperoxide
CID 95245
2,3,4,5,6-Pentafluoro-alpha,alpha-diphenylbenzenemethanol
CID 4191296
1,2,3,4-Tetraphenylbutane-2,3-diol
CID 344369
Boric acid, tris(phenylcyclohexyl) ester
CID 3047563
3,3',3'',3'''-Tetrakis(trifluoromethyl)benzopinacole
CID 3857608
1,1,1,3,3,3-Hexafluoro-2-(4-tribenzylsilylphenyl)propan-2-ol
CID 168291313
1,1,2,2-Tetraphenylethanol
CID 284868
2,3-Diphenyl-2,3-bis(triethylgermoxy)hexafluorobutane
CID 16693490

Frequently Asked Questions

What is the IUPAC name of tetrakis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-olate);titanium(4+)?
The IUPAC name of tetrakis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-olate);titanium(4+) (CID 139152759) is tetrakis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-olate);titanium(4+).
What is the SMILES notation for tetrakis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-olate);titanium(4+)?
The canonical SMILES for tetrakis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-olate);titanium(4+) is [O-]C(c1ccccc1)(C(F)(F)F)C(F)(F)F.[O-]C(c1ccccc1)(C(F)(F)F)C(F)(F)F.[O-]C(c1ccccc1)(C(F)(F)F)C(F)(F)F.[O-]C(c1ccccc1)(C(F)(F)F)C(F)(F)F.[Ti+4].
What is the InChIKey of tetrakis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-olate);titanium(4+)?
The InChIKey is HCERDPBUKQVFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H5F6O.Ti/c4*10-8(11,12)7(16,9(13,14)15)6-4-2-1-3-5-6;/h4*1-5H;/q4*-1;+4.
What are the key properties of tetrakis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-olate);titanium(4+)?
tetrakis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-olate);titanium(4+) has a molecular weight of 1020.37 g/mol, XLogP of 9.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-olate);titanium(4+) is sourced from PubChem (CID 139152759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).