acetonitrile;cobalt;bis(trifluoromethanesulfonamide)

C4H7CoF6N3O4S2 — CID 175334387

IUPACacetonitrile;cobalt;bis(trifluoromethanesulfonamide)
SMILESCC#N.NS(=O)(=O)C(F)(F)F.NS(=O)(=O)C(F)(F)F.[Co]
InChIInChI=1S/C2H3N.2CH2F3NO2S.Co/c1-2-3;2*2-1(3,4)8(5,6)7;/h1H3;2*(H2,5,6,7);
InChIKeyJBBWVXHAIIGNLZ-UHFFFAOYSA-N
MW398.17 g/mol
LogP0.12
Rot. Bonds

About acetonitrile;cobalt;bis(trifluoromethanesulfonamide)

acetonitrile;cobalt;bis(trifluoromethanesulfonamide) (PubChem CID 175334387) has the molecular formula C4H7CoF6N3O4S2 and a molecular weight of 398.17 g/mol. Its IUPAC name is acetonitrile;cobalt;bis(trifluoromethanesulfonamide).

Molecular Properties

Compound Nameacetonitrile;cobalt;bis(trifluoromethanesulfonamide)
PubChem CID175334387
Molecular FormulaC4H7CoF6N3O4S2
Molecular Weight398.17 g/mol
Exact Mass397.91
IUPAC Nameacetonitrile;cobalt;bis(trifluoromethanesulfonamide)
SMILESCC#N.NS(=O)(=O)C(F)(F)F.NS(=O)(=O)C(F)(F)F.[Co]
InChIInChI=1S/C2H3N.2CH2F3NO2S.Co/c1-2-3;2*2-1(3,4)8(5,6)7;/h1H3;2*(H2,5,6,7);
InChIKeyJBBWVXHAIIGNLZ-UHFFFAOYSA-N
XLogP0.12
TPSA144.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.17
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 157342367
azane;bis(trifluoromethanesulfonamide)
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indigane;trifluoromethanesulfonamide
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CID 87103721
CID 87103721
CID 87784182
CID 87784182
tetrakis(acetonitrile);palladium(2+);trifluoromethanesulfonate
CID 169446995
tetrakis(acetonitrile);copper;trifluoromethanesulfonate
CID 15900616
acetonitrile;scandium(3+);tris(trifluoromethanesulfonate)
CID 174984454
calcium;hydride;trifluoromethanesulfonamide
CID 175005756
bis(acetonitrile);sulfuric acid
CID 174658291
butane-1-sulfonamide;trifluoromethanesulfonamide
CID 87836175
CID 11113916
CID 11113916

Frequently Asked Questions

What is the IUPAC name of acetonitrile;cobalt;bis(trifluoromethanesulfonamide)?
The IUPAC name of acetonitrile;cobalt;bis(trifluoromethanesulfonamide) (CID 175334387) is acetonitrile;cobalt;bis(trifluoromethanesulfonamide).
What is the SMILES notation for acetonitrile;cobalt;bis(trifluoromethanesulfonamide)?
The canonical SMILES for acetonitrile;cobalt;bis(trifluoromethanesulfonamide) is CC#N.NS(=O)(=O)C(F)(F)F.NS(=O)(=O)C(F)(F)F.[Co].
What is the InChIKey of acetonitrile;cobalt;bis(trifluoromethanesulfonamide)?
The InChIKey is JBBWVXHAIIGNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N.2CH2F3NO2S.Co/c1-2-3;2*2-1(3,4)8(5,6)7;/h1H3;2*(H2,5,6,7);.
What are the key properties of acetonitrile;cobalt;bis(trifluoromethanesulfonamide)?
acetonitrile;cobalt;bis(trifluoromethanesulfonamide) has a molecular weight of 398.17 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;cobalt;bis(trifluoromethanesulfonamide) is sourced from PubChem (CID 175334387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).