cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;hafnium;methanol

C11H16F9GeHfO3- — CID 151205387

IUPACcyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;hafnium;methanol
SMILESCO.CO.CO.FC(F)(F)[Ge]([c-]1cccc1)(C(F)(F)F)C(F)(F)F.[Hf]
InChIInChI=1S/C8H4F9Ge.3CH4O.Hf/c9-6(10,11)18(7(12,13)14,8(15,16)17)5-3-1-2-4-5;3*1-2;/h1-4H;3*2H,1H3;/q-1;;;;
InChIKeyCWGXTNVZGTVSHF-UHFFFAOYSA-N
MW618.33 g/mol
LogP2.19
Rot. Bonds1

About cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;hafnium;methanol

cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;hafnium;methanol (PubChem CID 151205387) has the molecular formula C11H16F9GeHfO3- and a molecular weight of 618.33 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;hafnium;methanol.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;hafnium;methanol
PubChem CID151205387
Molecular FormulaC11H16F9GeHfO3-
Molecular Weight618.33 g/mol
Exact Mass620.96
IUPAC Namecyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;hafnium;methanol
SMILESCO.CO.CO.FC(F)(F)[Ge]([c-]1cccc1)(C(F)(F)F)C(F)(F)F.[Hf]
InChIInChI=1S/C8H4F9Ge.3CH4O.Hf/c9-6(10,11)18(7(12,13)14,8(15,16)17)5-3-1-2-4-5;3*1-2;/h1-4H;3*2H,1H3;/q-1;;;;
InChIKeyCWGXTNVZGTVSHF-UHFFFAOYSA-N
XLogP2.19
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.33
LogP ≤ 52.19
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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Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;hafnium;methanol?
The IUPAC name of cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;hafnium;methanol (CID 151205387) is cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;hafnium;methanol.
What is the SMILES notation for cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;hafnium;methanol?
The canonical SMILES for cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;hafnium;methanol is CO.CO.CO.FC(F)(F)[Ge]([c-]1cccc1)(C(F)(F)F)C(F)(F)F.[Hf].
What is the InChIKey of cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;hafnium;methanol?
The InChIKey is CWGXTNVZGTVSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F9Ge.3CH4O.Hf/c9-6(10,11)18(7(12,13)14,8(15,16)17)5-3-1-2-4-5;3*1-2;/h1-4H;3*2H,1H3;/q-1;;;;.
What are the key properties of cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;hafnium;methanol?
cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;hafnium;methanol has a molecular weight of 618.33 g/mol, XLogP of 2.19, 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;hafnium;methanol is sourced from PubChem (CID 151205387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).