cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;ethanol;zirconium

C14H22F9GeO3Zr- — CID 150147038

IUPACcyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;ethanol;zirconium
SMILESCCO.CCO.CCO.FC(F)(F)[Ge]([c-]1cccc1)(C(F)(F)F)C(F)(F)F.[Zr]
InChIInChI=1S/C8H4F9Ge.3C2H6O.Zr/c9-6(10,11)18(7(12,13)14,8(15,16)17)5-3-1-2-4-5;3*1-2-3;/h1-4H;3*3H,2H2,1H3;/q-1;;;;
InChIKeyLIHWDFBHBGDCBH-UHFFFAOYSA-N
MW573.14 g/mol
LogP3.36
Rot. Bonds1

About cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;ethanol;zirconium

cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;ethanol;zirconium (PubChem CID 150147038) has the molecular formula C14H22F9GeO3Zr- and a molecular weight of 573.14 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;ethanol;zirconium.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;ethanol;zirconium
PubChem CID150147038
Molecular FormulaC14H22F9GeO3Zr-
Molecular Weight573.14 g/mol
Exact Mass572.97
IUPAC Namecyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;ethanol;zirconium
SMILESCCO.CCO.CCO.FC(F)(F)[Ge]([c-]1cccc1)(C(F)(F)F)C(F)(F)F.[Zr]
InChIInChI=1S/C8H4F9Ge.3C2H6O.Zr/c9-6(10,11)18(7(12,13)14,8(15,16)17)5-3-1-2-4-5;3*1-2-3;/h1-4H;3*3H,2H2,1H3;/q-1;;;;
InChIKeyLIHWDFBHBGDCBH-UHFFFAOYSA-N
XLogP3.36
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.14
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 23263646
Cyclopentadienyl-tri-n-propoxytitanium
CID 129808896
Butan-1-ol;cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;zirconium
CID 149641897
Cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)germane;hafnium;methanol
CID 149702350
Cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;tris(propan-2-ol);zirconium
CID 149740739
Cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;hafnium;methanol
CID 149832338
Cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)silane;methanol;zirconium
CID 149948908
Tris(butan-2-ol);cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)germane;hafnium
CID 149972473
Cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)germane;ethanol;zirconium
CID 149975936
Cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;methanol;zirconium
CID 150002651
Cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;ethanol;hafnium
CID 150169370
Cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;tris(propan-1-ol);zirconium
CID 150170382

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;ethanol;zirconium?
The IUPAC name of cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;ethanol;zirconium (CID 150147038) is cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;ethanol;zirconium.
What is the SMILES notation for cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;ethanol;zirconium?
The canonical SMILES for cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;ethanol;zirconium is CCO.CCO.CCO.FC(F)(F)[Ge]([c-]1cccc1)(C(F)(F)F)C(F)(F)F.[Zr].
What is the InChIKey of cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;ethanol;zirconium?
The InChIKey is LIHWDFBHBGDCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F9Ge.3C2H6O.Zr/c9-6(10,11)18(7(12,13)14,8(15,16)17)5-3-1-2-4-5;3*1-2-3;/h1-4H;3*3H,2H2,1H3;/q-1;;;;.
What are the key properties of cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;ethanol;zirconium?
cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;ethanol;zirconium has a molecular weight of 573.14 g/mol, XLogP of 3.36, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;ethanol;zirconium is sourced from PubChem (CID 150147038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).