benzhydrylidene(fluoro)titanium;3-methyl-5-trimethylsilylphenol;dihydrochloride

C23H28Cl2FOSiTi — CID 87147643

IUPACbenzhydrylidene(fluoro)titanium;3-methyl-5-trimethylsilylphenol;dihydrochloride
SMILESCc1cc(O)cc([Si](C)(C)C)c1.Cl.Cl.F[Ti]=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10.C10H16OSi.2ClH.FH.Ti/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-8-5-9(11)7-10(6-8)12(2,3)4;;;;/h1-10H;5-7,11H,1-4H3;3*1H;/q;;;;;+1/p-1
InChIKeyWMKUDCPLQLBABV-UHFFFAOYSA-M
MW486.33 g/mol
LogP6.31
Rot. Bonds3

About benzhydrylidene(fluoro)titanium;3-methyl-5-trimethylsilylphenol;dihydrochloride

benzhydrylidene(fluoro)titanium;3-methyl-5-trimethylsilylphenol;dihydrochloride (PubChem CID 87147643) has the molecular formula C23H28Cl2FOSiTi and a molecular weight of 486.33 g/mol. Its IUPAC name is benzhydrylidene(fluoro)titanium;3-methyl-5-trimethylsilylphenol;dihydrochloride.

Molecular Properties

Compound Namebenzhydrylidene(fluoro)titanium;3-methyl-5-trimethylsilylphenol;dihydrochloride
PubChem CID87147643
Molecular FormulaC23H28Cl2FOSiTi
Molecular Weight486.33 g/mol
Exact Mass485.07
IUPAC Namebenzhydrylidene(fluoro)titanium;3-methyl-5-trimethylsilylphenol;dihydrochloride
SMILESCc1cc(O)cc([Si](C)(C)C)c1.Cl.Cl.F[Ti]=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10.C10H16OSi.2ClH.FH.Ti/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-8-5-9(11)7-10(6-8)12(2,3)4;;;;/h1-10H;5-7,11H,1-4H3;3*1H;/q;;;;;+1/p-1
InChIKeyWMKUDCPLQLBABV-UHFFFAOYSA-M
XLogP6.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.33
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzhydrylidene(fluoro)titanium;3-tert-butyl-5-methylphenol;dihydrochloride
CID 87148243
benzhydrylidenetitanium(1+);cyclopenta-1,4-dien-1-yl(trimethyl)silane;3-methyl-5-trimethylsilylphenol;dihydrochloride
CID 87146462
3,5-dimethylphenol;fluoro(pentan-3-ylidene)titanium;dihydrochloride
CID 87576457
benzhydrylidenetitanium(1+);3-[tert-butyl(dimethyl)silyl]-5-methylphenol;1,2,3,5-tetramethylcyclopenta-1,3-diene
CID 87867864
bis(5-methylbenzene-1,3-diol);quinoxaline
CID 139147357
cyclopenta-1,4-dien-1-yl(trimethyl)silane;methylidenetitanium(1+);3-methyl-5-trimethylsilylphenol
CID 87496612
cyclopenta-1,3-diene;3-methyl-5-trimethylsilylphenol;pentan-3-ylidenetitanium(1+);dihydrochloride
CID 87557606
CID 173210739
CID 173210739
3-amino-5-trimethylsilylphenol
CID 150605084
cyclopenta-1,4-dien-1-yl(trimethyl)silane;3-methyl-5-trimethylsilylphenol;propan-2-ylidenetitanium(1+);dichloride
CID 22221896
CID 175809990
CID 175809990
CID 173474984
CID 173474984

Frequently Asked Questions

What is the IUPAC name of benzhydrylidene(fluoro)titanium;3-methyl-5-trimethylsilylphenol;dihydrochloride?
The IUPAC name of benzhydrylidene(fluoro)titanium;3-methyl-5-trimethylsilylphenol;dihydrochloride (CID 87147643) is benzhydrylidene(fluoro)titanium;3-methyl-5-trimethylsilylphenol;dihydrochloride.
What is the SMILES notation for benzhydrylidene(fluoro)titanium;3-methyl-5-trimethylsilylphenol;dihydrochloride?
The canonical SMILES for benzhydrylidene(fluoro)titanium;3-methyl-5-trimethylsilylphenol;dihydrochloride is Cc1cc(O)cc([Si](C)(C)C)c1.Cl.Cl.F[Ti]=C(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydrylidene(fluoro)titanium;3-methyl-5-trimethylsilylphenol;dihydrochloride?
The InChIKey is WMKUDCPLQLBABV-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H10.C10H16OSi.2ClH.FH.Ti/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-8-5-9(11)7-10(6-8)12(2,3)4;;;;/h1-10H;5-7,11H,1-4H3;3*1H;/q;;;;;+1/p-1.
What are the key properties of benzhydrylidene(fluoro)titanium;3-methyl-5-trimethylsilylphenol;dihydrochloride?
benzhydrylidene(fluoro)titanium;3-methyl-5-trimethylsilylphenol;dihydrochloride has a molecular weight of 486.33 g/mol, XLogP of 6.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydrylidene(fluoro)titanium;3-methyl-5-trimethylsilylphenol;dihydrochloride is sourced from PubChem (CID 87147643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).