copper;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)

C4H2CuF12N2O8S4 — CID 161328389

IUPACcopper;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.[Cu]
InChIInChI=1S/2C2HF6NO4S2.Cu/c2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h2*9H;
InChIKeyVLBVFVVPOAAPSQ-UHFFFAOYSA-N
MW625.86 g/mol
LogP0.55
Rot. Bonds4

About copper;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)

copper;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide) (PubChem CID 161328389) has the molecular formula C4H2CuF12N2O8S4 and a molecular weight of 625.86 g/mol. Its IUPAC name is copper;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide).

Molecular Properties

Compound Namecopper;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
PubChem CID161328389
Molecular FormulaC4H2CuF12N2O8S4
Molecular Weight625.86 g/mol
Exact Mass624.78
IUPAC Namecopper;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.[Cu]
InChIInChI=1S/2C2HF6NO4S2.Cu/c2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h2*9H;
InChIKeyVLBVFVVPOAAPSQ-UHFFFAOYSA-N
XLogP0.55
TPSA160.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500625.86
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze copper;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide) with MolForge

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

Launch Full Analysis

Related Compounds

indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 131725280
copper;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;hydrate
CID 175971884
N-methylmethanamine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 171932401
lithium 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
CID 173034743
ethyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 175259089
nonane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 175845377
1H-pyrrole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 172749871
1,1,2,2,3,3,4,4-octafluoro-4-(trifluoromethylsulfonylsulfamoyl)butane-1-sulfonyl fluoride
CID 58852815
2-methyl-N-(trifluoromethylsulfonyl)but-3-ene-2-sulfonamide
CID 123826601
lithium;hydride;bis(1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide)
CID 173065488
N-(dimethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide;hydron
CID 175079418
2-(dimethylamino)ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 72943323

Frequently Asked Questions

What is the IUPAC name of copper;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)?
The IUPAC name of copper;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide) (CID 161328389) is copper;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide).
What is the SMILES notation for copper;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)?
The canonical SMILES for copper;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide) is O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.[Cu].
What is the InChIKey of copper;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)?
The InChIKey is VLBVFVVPOAAPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2HF6NO4S2.Cu/c2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h2*9H;.
What are the key properties of copper;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)?
copper;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide) has a molecular weight of 625.86 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide) is sourced from PubChem (CID 161328389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).