tetrakis(acetonitrile);copper;trifluoromethanesulfonate

C9H12CuF3N4O3S- — CID 15900616

IUPACtetrakis(acetonitrile);copper;trifluoromethanesulfonate
SMILESCC#N.CC#N.CC#N.CC#N.O=S(=O)([O-])C(F)(F)F.[Cu]
InChIInChI=1S/4C2H3N.CHF3O3S.Cu/c4*1-2-3;2-1(3,4)8(5,6)7;/h4*1H3;(H,5,6,7);/p-1
InChIKeyRMJGPGXWMDAFER-UHFFFAOYSA-M
MW376.83 g/mol
LogP2.17
Rot. Bonds

About tetrakis(acetonitrile);copper;trifluoromethanesulfonate

tetrakis(acetonitrile);copper;trifluoromethanesulfonate (PubChem CID 15900616) has the molecular formula C9H12CuF3N4O3S- and a molecular weight of 376.83 g/mol. Its IUPAC name is tetrakis(acetonitrile);copper;trifluoromethanesulfonate.

Molecular Properties

Compound Nametetrakis(acetonitrile);copper;trifluoromethanesulfonate
PubChem CID15900616
Molecular FormulaC9H12CuF3N4O3S-
Molecular Weight376.83 g/mol
Exact Mass375.99
IUPAC Nametetrakis(acetonitrile);copper;trifluoromethanesulfonate
SMILESCC#N.CC#N.CC#N.CC#N.O=S(=O)([O-])C(F)(F)F.[Cu]
InChIInChI=1S/4C2H3N.CHF3O3S.Cu/c4*1-2-3;2-1(3,4)8(5,6)7;/h4*1H3;(H,5,6,7);/p-1
InChIKeyRMJGPGXWMDAFER-UHFFFAOYSA-M
XLogP2.17
TPSA152.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.83
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(acetonitrile);palladium(2+);trifluoromethanesulfonate
CID 169446995
acetonitrile;scandium(3+);tris(trifluoromethanesulfonate)
CID 174984454
CID 11113916
CID 11113916
CID 139167537
CID 139167537
CID 11007792
CID 11007792
lanthanum(3+);tris(trifluoromethanesulfonate);hydrate
CID 71311383
copper;bis(trifluoromethanesulfonate);trihydrate
CID 140682148
lanthanum(3+);trifluoromethanesulfonate;hydrate
CID 22625223
scandium(3+);tris(trifluoromethanesulfonate);hydrate
CID 134128705
erbium(3+);tris(trifluoromethanesulfonate);hydrate
CID 141284699
pentakis(trifluoromethanesulfonate);vanadium
CID 140617079
scandium(3+);bis(trifluoromethanesulfonate)
CID 135121751

Frequently Asked Questions

What is the IUPAC name of tetrakis(acetonitrile);copper;trifluoromethanesulfonate?
The IUPAC name of tetrakis(acetonitrile);copper;trifluoromethanesulfonate (CID 15900616) is tetrakis(acetonitrile);copper;trifluoromethanesulfonate.
What is the SMILES notation for tetrakis(acetonitrile);copper;trifluoromethanesulfonate?
The canonical SMILES for tetrakis(acetonitrile);copper;trifluoromethanesulfonate is CC#N.CC#N.CC#N.CC#N.O=S(=O)([O-])C(F)(F)F.[Cu].
What is the InChIKey of tetrakis(acetonitrile);copper;trifluoromethanesulfonate?
The InChIKey is RMJGPGXWMDAFER-UHFFFAOYSA-M. The full InChI is InChI=1S/4C2H3N.CHF3O3S.Cu/c4*1-2-3;2-1(3,4)8(5,6)7;/h4*1H3;(H,5,6,7);/p-1.
What are the key properties of tetrakis(acetonitrile);copper;trifluoromethanesulfonate?
tetrakis(acetonitrile);copper;trifluoromethanesulfonate has a molecular weight of 376.83 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(acetonitrile);copper;trifluoromethanesulfonate is sourced from PubChem (CID 15900616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).