azanide;molybdenum;1,2,3,4,5-pentafluorobenzene-6-ide

C6H8F5MoN4-5 — CID 175473652

IUPACazanide;molybdenum;1,2,3,4,5-pentafluorobenzene-6-ide
SMILESFc1[c-]c(F)c(F)c(F)c1F.[Mo].[NH2-].[NH2-].[NH2-].[NH2-]
InChIInChI=1S/C6F5.Mo.4H2N/c7-2-1-3(8)5(10)6(11)4(2)9;;;;;/h;;4*1H2/q-1;;4*-1
InChIKeyVNYKZTMRCUUOJB-UHFFFAOYSA-N
MW327.09 g/mol
LogP5.05
Rot. Bonds

About azanide;molybdenum;1,2,3,4,5-pentafluorobenzene-6-ide

azanide;molybdenum;1,2,3,4,5-pentafluorobenzene-6-ide (PubChem CID 175473652) has the molecular formula C6H8F5MoN4-5 and a molecular weight of 327.09 g/mol. Its IUPAC name is azanide;molybdenum;1,2,3,4,5-pentafluorobenzene-6-ide.

Molecular Properties

Compound Nameazanide;molybdenum;1,2,3,4,5-pentafluorobenzene-6-ide
PubChem CID175473652
Molecular FormulaC6H8F5MoN4-5
Molecular Weight327.09 g/mol
Exact Mass328.98
IUPAC Nameazanide;molybdenum;1,2,3,4,5-pentafluorobenzene-6-ide
SMILESFc1[c-]c(F)c(F)c(F)c1F.[Mo].[NH2-].[NH2-].[NH2-].[NH2-]
InChIInChI=1S/C6F5.Mo.4H2N/c7-2-1-3(8)5(10)6(11)4(2)9;;;;;/h;;4*1H2/q-1;;4*-1
InChIKeyVNYKZTMRCUUOJB-UHFFFAOYSA-N
XLogP5.05
TPSA134.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.09
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azanide;molybdenum;1,2,3,4,5-pentafluorobenzene-6-ide?
The IUPAC name of azanide;molybdenum;1,2,3,4,5-pentafluorobenzene-6-ide (CID 175473652) is azanide;molybdenum;1,2,3,4,5-pentafluorobenzene-6-ide.
What is the SMILES notation for azanide;molybdenum;1,2,3,4,5-pentafluorobenzene-6-ide?
The canonical SMILES for azanide;molybdenum;1,2,3,4,5-pentafluorobenzene-6-ide is Fc1[c-]c(F)c(F)c(F)c1F.[Mo].[NH2-].[NH2-].[NH2-].[NH2-].
What is the InChIKey of azanide;molybdenum;1,2,3,4,5-pentafluorobenzene-6-ide?
The InChIKey is VNYKZTMRCUUOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F5.Mo.4H2N/c7-2-1-3(8)5(10)6(11)4(2)9;;;;;/h;;4*1H2/q-1;;4*-1.
What are the key properties of azanide;molybdenum;1,2,3,4,5-pentafluorobenzene-6-ide?
azanide;molybdenum;1,2,3,4,5-pentafluorobenzene-6-ide has a molecular weight of 327.09 g/mol, XLogP of 5.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;molybdenum;1,2,3,4,5-pentafluorobenzene-6-ide is sourced from PubChem (CID 175473652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).