hafnium;tetrakis((Z)-4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one)

C40H28F12HfO8 — CID 135667027

IUPAChafnium;tetrakis((Z)-4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one)
SMILESO=C(/C=C(\O)C(F)(F)F)c1ccccc1.O=C(/C=C(\O)C(F)(F)F)c1ccccc1.O=C(/C=C(\O)C(F)(F)F)c1ccccc1.O=C(/C=C(\O)C(F)(F)F)c1ccccc1.[Hf]
InChIInChI=1S/4C10H7F3O2.Hf/c4*11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;/h4*1-6,15H;/b4*9-6-;
InChIKeyVAFYNUKBXUIREN-MPLZNZICSA-N
MW1043.12 g/mol
LogP11.49
Rot. Bonds8

About hafnium;tetrakis((Z)-4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one)

hafnium;tetrakis((Z)-4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one) (PubChem CID 135667027) has the molecular formula C40H28F12HfO8 and a molecular weight of 1043.12 g/mol. Its IUPAC name is hafnium;tetrakis((Z)-4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one).

Molecular Properties

Compound Namehafnium;tetrakis((Z)-4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one)
PubChem CID135667027
Molecular FormulaC40H28F12HfO8
Molecular Weight1043.12 g/mol
Exact Mass1044.11
IUPAC Namehafnium;tetrakis((Z)-4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one)
SMILESO=C(/C=C(\O)C(F)(F)F)c1ccccc1.O=C(/C=C(\O)C(F)(F)F)c1ccccc1.O=C(/C=C(\O)C(F)(F)F)c1ccccc1.O=C(/C=C(\O)C(F)(F)F)c1ccccc1.[Hf]
InChIInChI=1S/4C10H7F3O2.Hf/c4*11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;/h4*1-6,15H;/b4*9-6-;
InChIKeyVAFYNUKBXUIREN-MPLZNZICSA-N
XLogP11.49
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.12
LogP ≤ 511.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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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Related Compounds

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CID 158715426
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CID 177436392
(E)-3-cyclopropyl-4,4,4-trifluoro-1-phenylbut-2-en-1-one
CID 177493417
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc
CID 5369713
bis((Z)-3-anilino-4,4,4-trifluoro-1-phenylbut-2-en-1-one);dichlorotitanium
CID 11216193
(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
CID 5366057
(E)-1,3-diphenyl-3-[tris(trifluoromethyl)germyloxy]prop-2-en-1-one
CID 102041821
ethyl (E)-4-oxo-4-phenyl-2-(trifluoromethyl)but-2-enoate
CID 102449794
(Z)-4,4,4-trifluoro-1-(4-methoxyphenyl)-3-phenylbut-2-en-1-one
CID 102451178
azane;2-hydroxyimino-1-phenylethanone
CID 172864672
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);titanium;dihydrate
CID 6477791
(Z)-3-amino-1,3-diphenylprop-2-en-1-one
CID 5376383

Frequently Asked Questions

What is the IUPAC name of hafnium;tetrakis((Z)-4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one)?
The IUPAC name of hafnium;tetrakis((Z)-4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one) (CID 135667027) is hafnium;tetrakis((Z)-4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one).
What is the SMILES notation for hafnium;tetrakis((Z)-4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one)?
The canonical SMILES for hafnium;tetrakis((Z)-4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one) is O=C(/C=C(\O)C(F)(F)F)c1ccccc1.O=C(/C=C(\O)C(F)(F)F)c1ccccc1.O=C(/C=C(\O)C(F)(F)F)c1ccccc1.O=C(/C=C(\O)C(F)(F)F)c1ccccc1.[Hf].
What is the InChIKey of hafnium;tetrakis((Z)-4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one)?
The InChIKey is VAFYNUKBXUIREN-MPLZNZICSA-N. The full InChI is InChI=1S/4C10H7F3O2.Hf/c4*11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;/h4*1-6,15H;/b4*9-6-;.
What are the key properties of hafnium;tetrakis((Z)-4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one)?
hafnium;tetrakis((Z)-4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one) has a molecular weight of 1043.12 g/mol, XLogP of 11.49, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;tetrakis((Z)-4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one) is sourced from PubChem (CID 135667027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).