carbanide;1-fluoro-3,5-dimethyl-2-(trifluoromethoxy)benzene-6-ide;tungsten(2+)

C10H10F4OW — CID 59592343

IUPACcarbanide;1-fluoro-3,5-dimethyl-2-(trifluoromethoxy)benzene-6-ide;tungsten(2+)
SMILESCc1[c-]c(F)c(OC(F)(F)F)c(C)c1.[CH3-].[W+2]
InChIInChI=1S/C9H7F4O.CH3.W/c1-5-3-6(2)8(7(10)4-5)14-9(11,12)13;;/h3H,1-2H3;1H3;/q2*-1;+2
InChIKeyQILYJIGSNQOGLB-UHFFFAOYSA-N
MW406.02 g/mol
LogP3.59
Rot. Bonds1

About carbanide;1-fluoro-3,5-dimethyl-2-(trifluoromethoxy)benzene-6-ide;tungsten(2+)

carbanide;1-fluoro-3,5-dimethyl-2-(trifluoromethoxy)benzene-6-ide;tungsten(2+) (PubChem CID 59592343) has the molecular formula C10H10F4OW and a molecular weight of 406.02 g/mol. Its IUPAC name is carbanide;1-fluoro-3,5-dimethyl-2-(trifluoromethoxy)benzene-6-ide;tungsten(2+).

Molecular Properties

Compound Namecarbanide;1-fluoro-3,5-dimethyl-2-(trifluoromethoxy)benzene-6-ide;tungsten(2+)
PubChem CID59592343
Molecular FormulaC10H10F4OW
Molecular Weight406.02 g/mol
Exact Mass406.02
IUPAC Namecarbanide;1-fluoro-3,5-dimethyl-2-(trifluoromethoxy)benzene-6-ide;tungsten(2+)
SMILESCc1[c-]c(F)c(OC(F)(F)F)c(C)c1.[CH3-].[W+2]
InChIInChI=1S/C9H7F4O.CH3.W/c1-5-3-6(2)8(7(10)4-5)14-9(11,12)13;;/h3H,1-2H3;1H3;/q2*-1;+2
InChIKeyQILYJIGSNQOGLB-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.02
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2,4,6-tris(trifluoromethyl)-2H-pyran
CID 3013867
Lithium 1-methoxy-3,5-bis(trifluoromethyl)benzene-6-ide
CID 135082765
1-Methyl-3-(trifluoromethoxy)cyclohexa-1,3-diene
CID 17952051
1-Methyl-4-(trifluoromethoxy)benzene-3,5-diide;undecakis(yttrium)
CID 20579981
2-Methoxy-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 21615684
Lithium 1-methoxy-4-(trifluoromethyl)benzene-5-ide
CID 57533427
2-Fluoro-1,4,5-trimethyl-3-(trifluoromethoxy)benzene-6-ide;yttrium
CID 59067430
1-Fluoro-3,4-dimethyl-2-(trifluoromethoxy)benzene-5-ide;yttrium
CID 59067432
Carbanide;1,3-dimethyl-5-(trifluoromethoxy)benzene-6-ide;tungsten(2+)
CID 59592186
Carbanide;2-fluoro-1,5-dimethyl-3-(trifluoromethoxy)benzene-4-ide;tungsten(2+)
CID 59592243
Carbanide;1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene-4-ide;tungsten(2+)
CID 59592265
Carbanide;2,4-dimethyl-1-(trifluoromethoxy)benzene-5-ide;tungsten(2+)
CID 59592335

Frequently Asked Questions

What is the IUPAC name of carbanide;1-fluoro-3,5-dimethyl-2-(trifluoromethoxy)benzene-6-ide;tungsten(2+)?
The IUPAC name of carbanide;1-fluoro-3,5-dimethyl-2-(trifluoromethoxy)benzene-6-ide;tungsten(2+) (CID 59592343) is carbanide;1-fluoro-3,5-dimethyl-2-(trifluoromethoxy)benzene-6-ide;tungsten(2+).
What is the SMILES notation for carbanide;1-fluoro-3,5-dimethyl-2-(trifluoromethoxy)benzene-6-ide;tungsten(2+)?
The canonical SMILES for carbanide;1-fluoro-3,5-dimethyl-2-(trifluoromethoxy)benzene-6-ide;tungsten(2+) is Cc1[c-]c(F)c(OC(F)(F)F)c(C)c1.[CH3-].[W+2].
What is the InChIKey of carbanide;1-fluoro-3,5-dimethyl-2-(trifluoromethoxy)benzene-6-ide;tungsten(2+)?
The InChIKey is QILYJIGSNQOGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F4O.CH3.W/c1-5-3-6(2)8(7(10)4-5)14-9(11,12)13;;/h3H,1-2H3;1H3;/q2*-1;+2.
What are the key properties of carbanide;1-fluoro-3,5-dimethyl-2-(trifluoromethoxy)benzene-6-ide;tungsten(2+)?
carbanide;1-fluoro-3,5-dimethyl-2-(trifluoromethoxy)benzene-6-ide;tungsten(2+) has a molecular weight of 406.02 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-fluoro-3,5-dimethyl-2-(trifluoromethoxy)benzene-6-ide;tungsten(2+) is sourced from PubChem (CID 59592343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).