tetrakis(copper(1+));tetrakis(2-(dimethylamino)ethanol);tetrakis(2,2,2-trifluoroethane-1,1-diol)

C24H56Cu4F12N4O12+4 — CID 6397972

IUPACtetrakis(copper(1+));tetrakis(2-(dimethylamino)ethanol);tetrakis(2,2,2-trifluoroethane-1,1-diol)
SMILESCN(C)CCO.CN(C)CCO.CN(C)CCO.CN(C)CCO.OC(O)C(F)(F)F.OC(O)C(F)(F)F.OC(O)C(F)(F)F.OC(O)C(F)(F)F.[Cu+].[Cu+].[Cu+].[Cu+]
InChIInChI=1S/4C4H11NO.4C2H3F3O2.4Cu/c4*1-5(2)3-4-6;4*3-2(4,5)1(6)7;;;;/h4*6H,3-4H2,1-2H3;4*1,6-7H;;;;/q;;;;;;;;4*+1
InChIKeyPKCMMLZAOKRVFD-UHFFFAOYSA-N
MW1074.89 g/mol
LogP-2.41
Rot. Bonds8

About tetrakis(copper(1+));tetrakis(2-(dimethylamino)ethanol);tetrakis(2,2,2-trifluoroethane-1,1-diol)

tetrakis(copper(1+));tetrakis(2-(dimethylamino)ethanol);tetrakis(2,2,2-trifluoroethane-1,1-diol) (PubChem CID 6397972) has the molecular formula C24H56Cu4F12N4O12+4 and a molecular weight of 1074.89 g/mol. Its IUPAC name is tetrakis(copper(1+));tetrakis(2-(dimethylamino)ethanol);tetrakis(2,2,2-trifluoroethane-1,1-diol).

Molecular Properties

Compound Nametetrakis(copper(1+));tetrakis(2-(dimethylamino)ethanol);tetrakis(2,2,2-trifluoroethane-1,1-diol)
PubChem CID6397972
Molecular FormulaC24H56Cu4F12N4O12+4
Molecular Weight1074.89 g/mol
Exact Mass1072.09
IUPAC Nametetrakis(copper(1+));tetrakis(2-(dimethylamino)ethanol);tetrakis(2,2,2-trifluoroethane-1,1-diol)
SMILESCN(C)CCO.CN(C)CCO.CN(C)CCO.CN(C)CCO.OC(O)C(F)(F)F.OC(O)C(F)(F)F.OC(O)C(F)(F)F.OC(O)C(F)(F)F.[Cu+].[Cu+].[Cu+].[Cu+]
InChIInChI=1S/4C4H11NO.4C2H3F3O2.4Cu/c4*1-5(2)3-4-6;4*3-2(4,5)1(6)7;;;;/h4*6H,3-4H2,1-2H3;4*1,6-7H;;;;/q;;;;;;;;4*+1
InChIKeyPKCMMLZAOKRVFD-UHFFFAOYSA-N
XLogP-2.41
TPSA255.72 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001074.89
LogP ≤ 5-2.41
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze tetrakis(copper(1+));tetrakis(2-(dimethylamino)ethanol);tetrakis(2,2,2-trifluoroethane-1,1-diol) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tetrakis(copper(1+));tetrakis(2-(dimethylamino)ethanol);tetrakis(2,2,2-trifluoroethane-1,1-diol)?
The IUPAC name of tetrakis(copper(1+));tetrakis(2-(dimethylamino)ethanol);tetrakis(2,2,2-trifluoroethane-1,1-diol) (CID 6397972) is tetrakis(copper(1+));tetrakis(2-(dimethylamino)ethanol);tetrakis(2,2,2-trifluoroethane-1,1-diol).
What is the SMILES notation for tetrakis(copper(1+));tetrakis(2-(dimethylamino)ethanol);tetrakis(2,2,2-trifluoroethane-1,1-diol)?
The canonical SMILES for tetrakis(copper(1+));tetrakis(2-(dimethylamino)ethanol);tetrakis(2,2,2-trifluoroethane-1,1-diol) is CN(C)CCO.CN(C)CCO.CN(C)CCO.CN(C)CCO.OC(O)C(F)(F)F.OC(O)C(F)(F)F.OC(O)C(F)(F)F.OC(O)C(F)(F)F.[Cu+].[Cu+].[Cu+].[Cu+].
What is the InChIKey of tetrakis(copper(1+));tetrakis(2-(dimethylamino)ethanol);tetrakis(2,2,2-trifluoroethane-1,1-diol)?
The InChIKey is PKCMMLZAOKRVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H11NO.4C2H3F3O2.4Cu/c4*1-5(2)3-4-6;4*3-2(4,5)1(6)7;;;;/h4*6H,3-4H2,1-2H3;4*1,6-7H;;;;/q;;;;;;;;4*+1.
What are the key properties of tetrakis(copper(1+));tetrakis(2-(dimethylamino)ethanol);tetrakis(2,2,2-trifluoroethane-1,1-diol)?
tetrakis(copper(1+));tetrakis(2-(dimethylamino)ethanol);tetrakis(2,2,2-trifluoroethane-1,1-diol) has a molecular weight of 1074.89 g/mol, XLogP of -2.41, 8 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(copper(1+));tetrakis(2-(dimethylamino)ethanol);tetrakis(2,2,2-trifluoroethane-1,1-diol) is sourced from PubChem (CID 6397972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).