[dichloro-[(Z)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxygermyl] (1Z)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate

C8H12Cl2F6GeN4O2 — CID 139162315

IUPAC[dichloro-[(Z)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxygermyl] (1Z)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate
SMILESCN(C)/N=C(\O[Ge](Cl)(Cl)O/C(=N\N(C)C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12Cl2F6GeN4O2/c1-20(2)18-5(7(11,12)13)22-17(9,10)23-6(8(14,15)16)19-21(3)4/h1-4H3/b18-5-,19-6-
InChIKeyAGRRRENZRWCHRK-GKIHVPCKSA-N
MW453.71 g/mol
LogP2.81
Rot. Bonds4

About [dichloro-[(Z)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxygermyl] (1Z)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate

[dichloro-[(Z)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxygermyl] (1Z)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate (PubChem CID 139162315) has the molecular formula C8H12Cl2F6GeN4O2 and a molecular weight of 453.71 g/mol. Its IUPAC name is [dichloro-[(Z)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxygermyl] (1Z)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate.

Molecular Properties

Compound Name[dichloro-[(Z)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxygermyl] (1Z)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate
PubChem CID139162315
Molecular FormulaC8H12Cl2F6GeN4O2
Molecular Weight453.71 g/mol
Exact Mass453.95
IUPAC Name[dichloro-[(Z)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxygermyl] (1Z)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate
SMILESCN(C)/N=C(\O[Ge](Cl)(Cl)O/C(=N\N(C)C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12Cl2F6GeN4O2/c1-20(2)18-5(7(11,12)13)22-17(9,10)23-6(8(14,15)16)19-21(3)4/h1-4H3/b18-5-,19-6-
InChIKeyAGRRRENZRWCHRK-GKIHVPCKSA-N
XLogP2.81
TPSA49.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.71
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [dichloro-[(Z)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxygermyl] (1Z)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate?
The IUPAC name of [dichloro-[(Z)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxygermyl] (1Z)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate (CID 139162315) is [dichloro-[(Z)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxygermyl] (1Z)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate.
What is the SMILES notation for [dichloro-[(Z)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxygermyl] (1Z)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate?
The canonical SMILES for [dichloro-[(Z)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxygermyl] (1Z)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate is CN(C)/N=C(\O[Ge](Cl)(Cl)O/C(=N\N(C)C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of [dichloro-[(Z)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxygermyl] (1Z)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate?
The InChIKey is AGRRRENZRWCHRK-GKIHVPCKSA-N. The full InChI is InChI=1S/C8H12Cl2F6GeN4O2/c1-20(2)18-5(7(11,12)13)22-17(9,10)23-6(8(14,15)16)19-21(3)4/h1-4H3/b18-5-,19-6-.
What are the key properties of [dichloro-[(Z)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxygermyl] (1Z)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate?
[dichloro-[(Z)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxygermyl] (1Z)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate has a molecular weight of 453.71 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [dichloro-[(Z)-N-(dimethylamino)-C-(trifluoromethyl)carbonimidoyl]oxygermyl] (1Z)-2,2,2-trifluoro-N,N-dimethylethanehydrazonate is sourced from PubChem (CID 139162315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).