dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium

C14H11Cl2F4NO3Ru — CID 59273370

IUPACdichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium
SMILESCC(C)Oc1ccc(N2C(=O)C(F)(F)C(F)(F)C2=O)cc1C=[Ru](Cl)Cl
InChIInChI=1S/C14H11F4NO3.2ClH.Ru/c1-7(2)22-10-5-4-9(6-8(10)3)19-11(20)13(15,16)14(17,18)12(19)21;;;/h3-7H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyXBLWLQITEBXAJC-UHFFFAOYSA-L
MW489.21 g/mol
LogP3.69
Rot. Bonds4

About dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium

dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium (PubChem CID 59273370) has the molecular formula C14H11Cl2F4NO3Ru and a molecular weight of 489.21 g/mol. Its IUPAC name is dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium.

Molecular Properties

Compound Namedichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium
PubChem CID59273370
Molecular FormulaC14H11Cl2F4NO3Ru
Molecular Weight489.21 g/mol
Exact Mass488.91
IUPAC Namedichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium
SMILESCC(C)Oc1ccc(N2C(=O)C(F)(F)C(F)(F)C2=O)cc1C=[Ru](Cl)Cl
InChIInChI=1S/C14H11F4NO3.2ClH.Ru/c1-7(2)22-10-5-4-9(6-8(10)3)19-11(20)13(15,16)14(17,18)12(19)21;;;/h3-7H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyXBLWLQITEBXAJC-UHFFFAOYSA-L
XLogP3.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.21
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium
CID 59273369
dichloro-[(5-formyl-2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 140664604
dichloro-[(5-methoxy-2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 153434955
dichloro-[[2-propan-2-yloxy-5-[(trimethylazaniumyl)methyl]phenyl]methylidene]ruthenium
CID 167346276
carbanide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 20816790
dichloro-[[5-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 135024694
dichloro-[[2-propan-2-yloxy-5-[(3,3,3-trifluoro-2-oxopropanoyl)amino]phenyl]methylidene]ruthenium
CID 59273372
dichloro-[[5-(2-methylpropoxycarbonylamino)-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 140726756
dichloro-[[5-[(2-ethoxy-2-oxoacetyl)amino]-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 59273360
dichloro-[[5-[ethoxy(phenyl)phosphoryl]-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 59154106
dichloro-[[2,5-di(propan-2-yloxy)phenyl]methylidene]ruthenium;tricyclohexylphosphanium
CID 59117453
CID 58112670
CID 58112670

Frequently Asked Questions

What is the IUPAC name of dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium?
The IUPAC name of dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium (CID 59273370) is dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium.
What is the SMILES notation for dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium?
The canonical SMILES for dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium is CC(C)Oc1ccc(N2C(=O)C(F)(F)C(F)(F)C2=O)cc1C=[Ru](Cl)Cl.
What is the InChIKey of dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium?
The InChIKey is XBLWLQITEBXAJC-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H11F4NO3.2ClH.Ru/c1-7(2)22-10-5-4-9(6-8(10)3)19-11(20)13(15,16)14(17,18)12(19)21;;;/h3-7H,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium?
dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium has a molecular weight of 489.21 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium is sourced from PubChem (CID 59273370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).