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

C14H22F9GeHfO3- — CID 150169370

IUPACcyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;ethanol;hafnium
SMILESCCO.CCO.CCO.FC(F)(F)[Ge]([c-]1cccc1)(C(F)(F)F)C(F)(F)F.[Hf]
InChIInChI=1S/C8H4F9Ge.3C2H6O.Hf/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;;;;
InChIKeyFYCLRQZCDYXNAP-UHFFFAOYSA-N
MW660.41 g/mol
LogP3.36
Rot. Bonds1

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

cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;ethanol;hafnium (PubChem CID 150169370) has the molecular formula C14H22F9GeHfO3- and a molecular weight of 660.41 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;ethanol;hafnium.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;ethanol;hafnium
PubChem CID150169370
Molecular FormulaC14H22F9GeHfO3-
Molecular Weight660.41 g/mol
Exact Mass663.01
IUPAC Namecyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;ethanol;hafnium
SMILESCCO.CCO.CCO.FC(F)(F)[Ge]([c-]1cccc1)(C(F)(F)F)C(F)(F)F.[Hf]
InChIInChI=1S/C8H4F9Ge.3C2H6O.Hf/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;;;;
InChIKeyFYCLRQZCDYXNAP-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 ≤ 500660.41
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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Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;ethanol;hafnium?
The IUPAC name of cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;ethanol;hafnium (CID 150169370) is cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;ethanol;hafnium.
What is the SMILES notation for cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;ethanol;hafnium?
The canonical SMILES for cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;ethanol;hafnium is CCO.CCO.CCO.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;ethanol;hafnium?
The InChIKey is FYCLRQZCDYXNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F9Ge.3C2H6O.Hf/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;hafnium?
cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;ethanol;hafnium has a molecular weight of 660.41 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;hafnium is sourced from PubChem (CID 150169370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).