[methyl(3,3,3-trifluoropropyl)silylidene]zirconium(2+)

C4H7F3SiZr+2 — CID 157065162

IUPAC[methyl(3,3,3-trifluoropropyl)silylidene]zirconium(2+)
SMILESC[Si](=[Zr+2])CCC(F)(F)F
InChIInChI=1S/C4H7F3Si.Zr/c1-8-3-2-4(5,6)7;/h2-3H2,1H3;/q;+2
InChIKeyREXXYJGGKACXRW-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.11
Rot. Bonds2

About [methyl(3,3,3-trifluoropropyl)silylidene]zirconium(2+)

[methyl(3,3,3-trifluoropropyl)silylidene]zirconium(2+) (PubChem CID 157065162) has the molecular formula C4H7F3SiZr+2 and a molecular weight of 231.40 g/mol. Its IUPAC name is [methyl(3,3,3-trifluoropropyl)silylidene]zirconium(2+).

Molecular Properties

Compound Name[methyl(3,3,3-trifluoropropyl)silylidene]zirconium(2+)
PubChem CID157065162
Molecular FormulaC4H7F3SiZr+2
Molecular Weight231.40 g/mol
Exact Mass229.93
IUPAC Name[methyl(3,3,3-trifluoropropyl)silylidene]zirconium(2+)
SMILESC[Si](=[Zr+2])CCC(F)(F)F
InChIInChI=1S/C4H7F3Si.Zr/c1-8-3-2-4(5,6)7;/h2-3H2,1H3;/q;+2
InChIKeyREXXYJGGKACXRW-UHFFFAOYSA-N
XLogP2.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl(4,4,4-trifluorobutyl)silane
CID 23572252
CID 21461936
CID 21461936
1,1,1-trifluoro-4-iodo-4-methylpentane
CID 162614405
bis(2-[2-(cycloheptylmethyl)-1H-inden-1-id-4-yl]naphthalene);[methyl(3,3,3-trifluoropropyl)silylidene]zirconium(2+);dichloride
CID 158656579
bis(2-[[4-(3,5-dimethylphenyl)-1H-inden-1-id-2-yl]methyl]adamantane);[methyl(3,3,3-trifluoropropyl)silylidene]zirconium(2+);dichloride
CID 157493428
1,1,1,2,2,5,5,5-octafluoropentane
CID 22457046
Ethenyl(methoxymethyl)(3,3,3-trifluoropropyl)silane
CID 78066926
2,2-dimethylbutane;2,2-dimethylpropane;1,1,1-trifluoro-4,4-dimethylpentane
CID 158100302
azane;1,1,1-trifluorobutane;hydrochloride
CID 135354916
6,6,6-trifluoro-3-methylhexan-3-ol
CID 64565342
bis(1-[4-[2-(1-bicyclo[2.2.1]heptanylmethylidene)-1H-inden-1-id-4-yl]phenyl]adamantane);[methyl(3,3,3-trifluoropropyl)silylidene]zirconium(2+);dichloride
CID 159472412
CID 18369893
CID 18369893

Frequently Asked Questions

What is the IUPAC name of [methyl(3,3,3-trifluoropropyl)silylidene]zirconium(2+)?
The IUPAC name of [methyl(3,3,3-trifluoropropyl)silylidene]zirconium(2+) (CID 157065162) is [methyl(3,3,3-trifluoropropyl)silylidene]zirconium(2+).
What is the SMILES notation for [methyl(3,3,3-trifluoropropyl)silylidene]zirconium(2+)?
The canonical SMILES for [methyl(3,3,3-trifluoropropyl)silylidene]zirconium(2+) is C[Si](=[Zr+2])CCC(F)(F)F.
What is the InChIKey of [methyl(3,3,3-trifluoropropyl)silylidene]zirconium(2+)?
The InChIKey is REXXYJGGKACXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3Si.Zr/c1-8-3-2-4(5,6)7;/h2-3H2,1H3;/q;+2.
What are the key properties of [methyl(3,3,3-trifluoropropyl)silylidene]zirconium(2+)?
[methyl(3,3,3-trifluoropropyl)silylidene]zirconium(2+) has a molecular weight of 231.40 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(3,3,3-trifluoropropyl)silylidene]zirconium(2+) is sourced from PubChem (CID 157065162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).