carbanide;1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone;tungsten

C10H9F4OW- — CID 158241209

IUPACcarbanide;1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone;tungsten
SMILESCC(=O)c1c(F)cccc1C(F)(F)F.[CH3-].[W]
InChIInChI=1S/C9H6F4O.CH3.W/c1-5(14)8-6(9(11,12)13)3-2-4-7(8)10;;/h2-4H,1H3;1H3;/q;-1;
InChIKeyMGIYQBXBUXUZOZ-UHFFFAOYSA-N
MW405.01 g/mol
LogP3.49
Rot. Bonds1

About carbanide;1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone;tungsten

carbanide;1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone;tungsten (PubChem CID 158241209) has the molecular formula C10H9F4OW- and a molecular weight of 405.01 g/mol. Its IUPAC name is carbanide;1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone;tungsten.

Molecular Properties

Compound Namecarbanide;1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone;tungsten
PubChem CID158241209
Molecular FormulaC10H9F4OW-
Molecular Weight405.01 g/mol
Exact Mass405.01
IUPAC Namecarbanide;1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone;tungsten
SMILESCC(=O)c1c(F)cccc1C(F)(F)F.[CH3-].[W]
InChIInChI=1S/C9H6F4O.CH3.W/c1-5(14)8-6(9(11,12)13)3-2-4-7(8)10;;/h2-4H,1H3;1H3;/q;-1;
InChIKeyMGIYQBXBUXUZOZ-UHFFFAOYSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.01
LogP ≤ 53.49
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

1-fluoro-2-prop-1-en-2-yl-3-(trifluoromethyl)benzene
CID 89360581
1-[2-ethyl-6-(trifluoromethyl)phenyl]ethanone
CID 149400336
2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide
CID 83405796
N-[2-(dimethylamino)ethyl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 172648766
1-(2-fluoro-6-iodophenyl)ethanone
CID 20777138
N-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide
CID 117063447
ethyl 3-[2-fluoro-6-(trifluoromethyl)phenyl]-3-oxopropanoate
CID 83403472
2,6-bis(trifluoromethyl)benzoate
CID 6927052
(4-chlorophenyl) 2-fluoro-6-(trifluoromethyl)benzoate
CID 91730943
2-fluoro-N'-hydroxy-6-(trifluoromethyl)benzenecarboximidamide
CID 15452050
octyl 2-fluoro-6-(trifluoromethyl)benzoate
CID 91730635
(3,4-dimethylphenyl) 2-fluoro-6-(trifluoromethyl)benzoate
CID 91731514

Frequently Asked Questions

What is the IUPAC name of carbanide;1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone;tungsten?
The IUPAC name of carbanide;1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone;tungsten (CID 158241209) is carbanide;1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone;tungsten.
What is the SMILES notation for carbanide;1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone;tungsten?
The canonical SMILES for carbanide;1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone;tungsten is CC(=O)c1c(F)cccc1C(F)(F)F.[CH3-].[W].
What is the InChIKey of carbanide;1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone;tungsten?
The InChIKey is MGIYQBXBUXUZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4O.CH3.W/c1-5(14)8-6(9(11,12)13)3-2-4-7(8)10;;/h2-4H,1H3;1H3;/q;-1;.
What are the key properties of carbanide;1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone;tungsten?
carbanide;1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone;tungsten has a molecular weight of 405.01 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone;tungsten is sourced from PubChem (CID 158241209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).