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

C2H3CuF6NO5S2+2 — CID 175971884

IUPACcopper;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;hydrate
SMILESO.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.[Cu+2]
InChIInChI=1S/C2HF6NO4S2.Cu.H2O/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;;/h9H;;1H2/q;+2;
InChIKeyCSMMRJWIZWYKQY-UHFFFAOYSA-N
MW362.72 g/mol
LogP-0.55
Rot. Bonds2

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

copper;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;hydrate (PubChem CID 175971884) has the molecular formula C2H3CuF6NO5S2+2 and a molecular weight of 362.72 g/mol. Its IUPAC name is copper;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;hydrate.

Molecular Properties

Compound Namecopper;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;hydrate
PubChem CID175971884
Molecular FormulaC2H3CuF6NO5S2+2
Molecular Weight362.72 g/mol
Exact Mass361.86
IUPAC Namecopper;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;hydrate
SMILESO.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.[Cu+2]
InChIInChI=1S/C2HF6NO4S2.Cu.H2O/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;;/h9H;;1H2/q;+2;
InChIKeyCSMMRJWIZWYKQY-UHFFFAOYSA-N
XLogP-0.55
TPSA111.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.72
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of copper;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;hydrate?
The IUPAC name of copper;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;hydrate (CID 175971884) is copper;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;hydrate.
What is the SMILES notation for copper;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;hydrate?
The canonical SMILES for copper;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;hydrate is O.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.[Cu+2].
What is the InChIKey of copper;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;hydrate?
The InChIKey is CSMMRJWIZWYKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF6NO4S2.Cu.H2O/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;;/h9H;;1H2/q;+2;.
What are the key properties of copper;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;hydrate?
copper;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;hydrate has a molecular weight of 362.72 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;hydrate is sourced from PubChem (CID 175971884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).