difluorotitanium;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one)

C30H24F2O4Ti — CID 6477794

IUPACdifluorotitanium;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one)
SMILESF[Ti]F.O=C(/C=C(\O)c1ccccc1)c1ccccc1.O=C(/C=C(\O)c1ccccc1)c1ccccc1
InChIInChI=1S/2C15H12O2.2FH.Ti/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;;;/h2*1-11,16H;2*1H;/q;;;;+2/p-2/b2*14-11-;;;
InChIKeyJEINAWRHDINILE-BGFMMZJESA-L
MW534.38 g/mol
LogP7.77
Rot. Bonds6

About difluorotitanium;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one)

difluorotitanium;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one) (PubChem CID 6477794) has the molecular formula C30H24F2O4Ti and a molecular weight of 534.38 g/mol. Its IUPAC name is difluorotitanium;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one).

Molecular Properties

Compound Namedifluorotitanium;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one)
PubChem CID6477794
Molecular FormulaC30H24F2O4Ti
Molecular Weight534.38 g/mol
Exact Mass534.11
IUPAC Namedifluorotitanium;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one)
SMILESF[Ti]F.O=C(/C=C(\O)c1ccccc1)c1ccccc1.O=C(/C=C(\O)c1ccccc1)c1ccccc1
InChIInChI=1S/2C15H12O2.2FH.Ti/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;;;/h2*1-11,16H;2*1H;/q;;;;+2/p-2/b2*14-11-;;;
InChIKeyJEINAWRHDINILE-BGFMMZJESA-L
XLogP7.77
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.38
LogP ≤ 57.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of difluorotitanium;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one)?
The IUPAC name of difluorotitanium;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one) (CID 6477794) is difluorotitanium;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one).
What is the SMILES notation for difluorotitanium;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one)?
The canonical SMILES for difluorotitanium;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one) is F[Ti]F.O=C(/C=C(\O)c1ccccc1)c1ccccc1.O=C(/C=C(\O)c1ccccc1)c1ccccc1.
What is the InChIKey of difluorotitanium;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one)?
The InChIKey is JEINAWRHDINILE-BGFMMZJESA-L. The full InChI is InChI=1S/2C15H12O2.2FH.Ti/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;;;/h2*1-11,16H;2*1H;/q;;;;+2/p-2/b2*14-11-;;;.
What are the key properties of difluorotitanium;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one)?
difluorotitanium;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one) has a molecular weight of 534.38 g/mol, XLogP of 7.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluorotitanium;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one) is sourced from PubChem (CID 6477794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).