cyclopenta-1,3-diene;ruthenium(2+);1,2,3,5-tetramethyl-4-(trifluoromethyl)cyclopenta-1,3-diene

C15H17F3Ru — CID 134817904

IUPACcyclopenta-1,3-diene;ruthenium(2+);1,2,3,5-tetramethyl-4-(trifluoromethyl)cyclopenta-1,3-diene
SMILESCc1c(C)c(C(F)(F)F)[c-](C)c1C.[Ru+2].c1cc[cH-]c1
InChIInChI=1S/C10H12F3.C5H5.Ru/c1-5-6(2)8(4)9(7(5)3)10(11,12)13;1-2-4-5-3-1;/h1-4H3;1-5H;/q2*-1;+2
InChIKeyYGDDSKOHWDYDNL-UHFFFAOYSA-N
MW355.37 g/mol
LogP5.06
Rot. Bonds

About cyclopenta-1,3-diene;ruthenium(2+);1,2,3,5-tetramethyl-4-(trifluoromethyl)cyclopenta-1,3-diene

cyclopenta-1,3-diene;ruthenium(2+);1,2,3,5-tetramethyl-4-(trifluoromethyl)cyclopenta-1,3-diene (PubChem CID 134817904) has the molecular formula C15H17F3Ru and a molecular weight of 355.37 g/mol. Its IUPAC name is cyclopenta-1,3-diene;ruthenium(2+);1,2,3,5-tetramethyl-4-(trifluoromethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Namecyclopenta-1,3-diene;ruthenium(2+);1,2,3,5-tetramethyl-4-(trifluoromethyl)cyclopenta-1,3-diene
PubChem CID134817904
Molecular FormulaC15H17F3Ru
Molecular Weight355.37 g/mol
Exact Mass356.03
IUPAC Namecyclopenta-1,3-diene;ruthenium(2+);1,2,3,5-tetramethyl-4-(trifluoromethyl)cyclopenta-1,3-diene
SMILESCc1c(C)c(C(F)(F)F)[c-](C)c1C.[Ru+2].c1cc[cH-]c1
InChIInChI=1S/C10H12F3.C5H5.Ru/c1-5-6(2)8(4)9(7(5)3)10(11,12)13;1-2-4-5-3-1;/h1-4H3;1-5H;/q2*-1;+2
InChIKeyYGDDSKOHWDYDNL-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.37
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;ruthenium(2+);1,2,3,5-tetramethyl-4-(trifluoromethyl)cyclopenta-1,3-diene?
The IUPAC name of cyclopenta-1,3-diene;ruthenium(2+);1,2,3,5-tetramethyl-4-(trifluoromethyl)cyclopenta-1,3-diene (CID 134817904) is cyclopenta-1,3-diene;ruthenium(2+);1,2,3,5-tetramethyl-4-(trifluoromethyl)cyclopenta-1,3-diene.
What is the SMILES notation for cyclopenta-1,3-diene;ruthenium(2+);1,2,3,5-tetramethyl-4-(trifluoromethyl)cyclopenta-1,3-diene?
The canonical SMILES for cyclopenta-1,3-diene;ruthenium(2+);1,2,3,5-tetramethyl-4-(trifluoromethyl)cyclopenta-1,3-diene is Cc1c(C)c(C(F)(F)F)[c-](C)c1C.[Ru+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;ruthenium(2+);1,2,3,5-tetramethyl-4-(trifluoromethyl)cyclopenta-1,3-diene?
The InChIKey is YGDDSKOHWDYDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3.C5H5.Ru/c1-5-6(2)8(4)9(7(5)3)10(11,12)13;1-2-4-5-3-1;/h1-4H3;1-5H;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;ruthenium(2+);1,2,3,5-tetramethyl-4-(trifluoromethyl)cyclopenta-1,3-diene?
cyclopenta-1,3-diene;ruthenium(2+);1,2,3,5-tetramethyl-4-(trifluoromethyl)cyclopenta-1,3-diene has a molecular weight of 355.37 g/mol, XLogP of 5.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;ruthenium(2+);1,2,3,5-tetramethyl-4-(trifluoromethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 134817904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).