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

C20H34F9GeHfO3- — CID 150333297

IUPACtris(butan-2-ol);cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;hafnium
SMILESCCC(C)O.CCC(C)O.CCC(C)O.FC(F)(F)[Ge]([c-]1cccc1)(C(F)(F)F)C(F)(F)F.[Hf]
InChIInChI=1S/C8H4F9Ge.3C4H10O.Hf/c9-6(10,11)18(7(12,13)14,8(15,16)17)5-3-1-2-4-5;3*1-3-4(2)5;/h1-4H;3*4-5H,3H2,1-2H3;/q-1;;;;
InChIKeyLDWBTHOMMDPDGY-UHFFFAOYSA-N
MW744.57 g/mol
LogP5.69
Rot. Bonds4

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

tris(butan-2-ol);cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;hafnium (PubChem CID 150333297) has the molecular formula C20H34F9GeHfO3- and a molecular weight of 744.57 g/mol. Its IUPAC name is tris(butan-2-ol);cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;hafnium.

Molecular Properties

Compound Nametris(butan-2-ol);cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;hafnium
PubChem CID150333297
Molecular FormulaC20H34F9GeHfO3-
Molecular Weight744.57 g/mol
Exact Mass747.10
IUPAC Nametris(butan-2-ol);cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;hafnium
SMILESCCC(C)O.CCC(C)O.CCC(C)O.FC(F)(F)[Ge]([c-]1cccc1)(C(F)(F)F)C(F)(F)F.[Hf]
InChIInChI=1S/C8H4F9Ge.3C4H10O.Hf/c9-6(10,11)18(7(12,13)14,8(15,16)17)5-3-1-2-4-5;3*1-3-4(2)5;/h1-4H;3*4-5H,3H2,1-2H3;/q-1;;;;
InChIKeyLDWBTHOMMDPDGY-UHFFFAOYSA-N
XLogP5.69
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.57
LogP ≤ 55.69
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 tris(butan-2-ol);cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;hafnium?
The IUPAC name of tris(butan-2-ol);cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;hafnium (CID 150333297) is tris(butan-2-ol);cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;hafnium.
What is the SMILES notation for tris(butan-2-ol);cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;hafnium?
The canonical SMILES for tris(butan-2-ol);cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;hafnium is CCC(C)O.CCC(C)O.CCC(C)O.FC(F)(F)[Ge]([c-]1cccc1)(C(F)(F)F)C(F)(F)F.[Hf].
What is the InChIKey of tris(butan-2-ol);cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;hafnium?
The InChIKey is LDWBTHOMMDPDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F9Ge.3C4H10O.Hf/c9-6(10,11)18(7(12,13)14,8(15,16)17)5-3-1-2-4-5;3*1-3-4(2)5;/h1-4H;3*4-5H,3H2,1-2H3;/q-1;;;;.
What are the key properties of tris(butan-2-ol);cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;hafnium?
tris(butan-2-ol);cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;hafnium has a molecular weight of 744.57 g/mol, XLogP of 5.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(butan-2-ol);cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;hafnium is sourced from PubChem (CID 150333297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).