carbanide;1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene-4-ide;tungsten(2+)

C11H10F6O2W — CID 59592265

IUPACcarbanide;1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene-4-ide;tungsten(2+)
SMILESCc1[c-]c(OC(F)(F)F)c(OC(F)(F)F)c(C)c1.[CH3-].[W+2]
InChIInChI=1S/C10H7F6O2.CH3.W/c1-5-3-6(2)8(18-10(14,15)16)7(4-5)17-9(11,12)13;;/h3H,1-2H3;1H3;/q2*-1;+2
InChIKeyIXKZQSLZWUXFLK-UHFFFAOYSA-N
MW472.03 g/mol
LogP4.35
Rot. Bonds2

About carbanide;1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene-4-ide;tungsten(2+)

carbanide;1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene-4-ide;tungsten(2+) (PubChem CID 59592265) has the molecular formula C11H10F6O2W and a molecular weight of 472.03 g/mol. Its IUPAC name is carbanide;1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene-4-ide;tungsten(2+).

Molecular Properties

Compound Namecarbanide;1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene-4-ide;tungsten(2+)
PubChem CID59592265
Molecular FormulaC11H10F6O2W
Molecular Weight472.03 g/mol
Exact Mass472.01
IUPAC Namecarbanide;1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene-4-ide;tungsten(2+)
SMILESCc1[c-]c(OC(F)(F)F)c(OC(F)(F)F)c(C)c1.[CH3-].[W+2]
InChIInChI=1S/C10H7F6O2.CH3.W/c1-5-3-6(2)8(18-10(14,15)16)7(4-5)17-9(11,12)13;;/h3H,1-2H3;1H3;/q2*-1;+2
InChIKeyIXKZQSLZWUXFLK-UHFFFAOYSA-N
XLogP4.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.03
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
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;2,4-dimethyl-1-(trifluoromethoxy)benzene-5-ide;tungsten(2+)
CID 59592335
Carbanide;1-fluoro-3,5-dimethyl-2-(trifluoromethoxy)benzene-6-ide;tungsten(2+)
CID 59592343
(2Z,4E)-3-methyl-4-(trifluoromethoxy)hexa-2,4-diene
CID 89672815
2-Methyl-3-(trifluoromethoxy)cyclohexa-1,3-diene
CID 123582717
2,6-Difluoro-4-[1,1,3-trifluoro-2-(1-fluoroethyl)but-2-enoxy]-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 123684369
3-(Difluoromethoxy)-2-methoxy-6-(methoxymethyl)octa-1,3,5-triene
CID 123937559
2-ethenyl-6-methylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)pyran
CID 126591233

Frequently Asked Questions

What is the IUPAC name of carbanide;1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene-4-ide;tungsten(2+)?
The IUPAC name of carbanide;1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene-4-ide;tungsten(2+) (CID 59592265) is carbanide;1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene-4-ide;tungsten(2+).
What is the SMILES notation for carbanide;1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene-4-ide;tungsten(2+)?
The canonical SMILES for carbanide;1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene-4-ide;tungsten(2+) is Cc1[c-]c(OC(F)(F)F)c(OC(F)(F)F)c(C)c1.[CH3-].[W+2].
What is the InChIKey of carbanide;1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene-4-ide;tungsten(2+)?
The InChIKey is IXKZQSLZWUXFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6O2.CH3.W/c1-5-3-6(2)8(18-10(14,15)16)7(4-5)17-9(11,12)13;;/h3H,1-2H3;1H3;/q2*-1;+2.
What are the key properties of carbanide;1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene-4-ide;tungsten(2+)?
carbanide;1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene-4-ide;tungsten(2+) has a molecular weight of 472.03 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene-4-ide;tungsten(2+) is sourced from PubChem (CID 59592265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).