cobalt(2+);bis((Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate)

C16H14CoF6N2O4 — CID 139171442

IUPACcobalt(2+);bis((Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate)
SMILESCc1nc(/C=C(\[O-])C(F)(F)F)oc1C.Cc1nc(/C=C(\[O-])C(F)(F)F)oc1C.[Co+2]
InChIInChI=1S/2C8H8F3NO2.Co/c2*1-4-5(2)14-7(12-4)3-6(13)8(9,10)11;/h2*3,13H,1-2H3;/q;;+2/p-2/b2*6-3-;
InChIKeyZSVLOBUHSHXRHX-NAZWHANDSA-L
MW471.22 g/mol
LogP3.11
Rot. Bonds2

About cobalt(2+);bis((Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate)

cobalt(2+);bis((Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate) (PubChem CID 139171442) has the molecular formula C16H14CoF6N2O4 and a molecular weight of 471.22 g/mol. Its IUPAC name is cobalt(2+);bis((Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate).

Molecular Properties

Compound Namecobalt(2+);bis((Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate)
PubChem CID139171442
Molecular FormulaC16H14CoF6N2O4
Molecular Weight471.22 g/mol
Exact Mass471.02
IUPAC Namecobalt(2+);bis((Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate)
SMILESCc1nc(/C=C(\[O-])C(F)(F)F)oc1C.Cc1nc(/C=C(\[O-])C(F)(F)F)oc1C.[Co+2]
InChIInChI=1S/2C8H8F3NO2.Co/c2*1-4-5(2)14-7(12-4)3-6(13)8(9,10)11;/h2*3,13H,1-2H3;/q;;+2/p-2/b2*6-3-;
InChIKeyZSVLOBUHSHXRHX-NAZWHANDSA-L
XLogP3.11
TPSA98.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.22
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze cobalt(2+);bis((Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate) with MolForge

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Launch Full Analysis

Related Compounds

(Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-ol
CID 136731978
tris((Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate);vanadium
CID 139172560
1-(4,5-Dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-ol
CID 162534551
(Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate
CID 102524597

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis((Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate)?
The IUPAC name of cobalt(2+);bis((Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate) (CID 139171442) is cobalt(2+);bis((Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate).
What is the SMILES notation for cobalt(2+);bis((Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate)?
The canonical SMILES for cobalt(2+);bis((Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate) is Cc1nc(/C=C(\[O-])C(F)(F)F)oc1C.Cc1nc(/C=C(\[O-])C(F)(F)F)oc1C.[Co+2].
What is the InChIKey of cobalt(2+);bis((Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate)?
The InChIKey is ZSVLOBUHSHXRHX-NAZWHANDSA-L. The full InChI is InChI=1S/2C8H8F3NO2.Co/c2*1-4-5(2)14-7(12-4)3-6(13)8(9,10)11;/h2*3,13H,1-2H3;/q;;+2/p-2/b2*6-3-;.
What are the key properties of cobalt(2+);bis((Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate)?
cobalt(2+);bis((Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate) has a molecular weight of 471.22 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis((Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate) is sourced from PubChem (CID 139171442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).