copper;acetonitrile;methanesulfonate;hydrofluoride

C4H10CuFNO6S2 — CID 174949440

IUPACcopper;acetonitrile;methanesulfonate;hydrofluoride
SMILESCC#N.CS(=O)(=O)[O-].CS(=O)(=O)[O-].F.[Cu+2]
InChIInChI=1S/C2H3N.2CH4O3S.Cu.FH/c1-2-3;2*1-5(2,3)4;;/h1H3;2*1H3,(H,2,3,4);;1H/q;;;+2;/p-2
InChIKeyLSINJYJLHHYVHE-UHFFFAOYSA-L
MW314.80 g/mol
LogP-1.00
Rot. Bonds

About copper;acetonitrile;methanesulfonate;hydrofluoride

copper;acetonitrile;methanesulfonate;hydrofluoride (PubChem CID 174949440) has the molecular formula C4H10CuFNO6S2 and a molecular weight of 314.80 g/mol. Its IUPAC name is copper;acetonitrile;methanesulfonate;hydrofluoride.

Molecular Properties

Compound Namecopper;acetonitrile;methanesulfonate;hydrofluoride
PubChem CID174949440
Molecular FormulaC4H10CuFNO6S2
Molecular Weight314.80 g/mol
Exact Mass313.92
IUPAC Namecopper;acetonitrile;methanesulfonate;hydrofluoride
SMILESCC#N.CS(=O)(=O)[O-].CS(=O)(=O)[O-].F.[Cu+2]
InChIInChI=1S/C2H3N.2CH4O3S.Cu.FH/c1-2-3;2*1-5(2,3)4;;/h1H3;2*1H3,(H,2,3,4);;1H/q;;;+2;/p-2
InChIKeyLSINJYJLHHYVHE-UHFFFAOYSA-L
XLogP-1.00
TPSA138.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 5-1.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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gold(3+);methanesulfonate
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methanesulfonate;hydrobromide
CID 18469443
bis(acetonitrile);sulfuric acid
CID 174658291
tetrakis(acetonitrile);copper;trifluoromethanesulfonate
CID 15900616
tetrakis(acetonitrile);palladium(2+);trifluoromethanesulfonate
CID 169446995
acetonitrile;scandium(3+);tris(trifluoromethanesulfonate)
CID 174984454

Frequently Asked Questions

What is the IUPAC name of copper;acetonitrile;methanesulfonate;hydrofluoride?
The IUPAC name of copper;acetonitrile;methanesulfonate;hydrofluoride (CID 174949440) is copper;acetonitrile;methanesulfonate;hydrofluoride.
What is the SMILES notation for copper;acetonitrile;methanesulfonate;hydrofluoride?
The canonical SMILES for copper;acetonitrile;methanesulfonate;hydrofluoride is CC#N.CS(=O)(=O)[O-].CS(=O)(=O)[O-].F.[Cu+2].
What is the InChIKey of copper;acetonitrile;methanesulfonate;hydrofluoride?
The InChIKey is LSINJYJLHHYVHE-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H3N.2CH4O3S.Cu.FH/c1-2-3;2*1-5(2,3)4;;/h1H3;2*1H3,(H,2,3,4);;1H/q;;;+2;/p-2.
What are the key properties of copper;acetonitrile;methanesulfonate;hydrofluoride?
copper;acetonitrile;methanesulfonate;hydrofluoride has a molecular weight of 314.80 g/mol, XLogP of -1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper;acetonitrile;methanesulfonate;hydrofluoride is sourced from PubChem (CID 174949440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).