2-fluoro-1,4,5-trimethyl-3-(trifluoromethoxy)benzene-6-ide;yttrium

C10H9F4OY- — CID 59067430

IUPAC2-fluoro-1,4,5-trimethyl-3-(trifluoromethoxy)benzene-6-ide;yttrium
SMILESCc1[c-]c(C)c(F)c(OC(F)(F)F)c1C.[Y]
InChIInChI=1S/C10H9F4O.Y/c1-5-4-6(2)8(11)9(7(5)3)15-10(12,13)14;/h1-3H3;/q-1;
InChIKeyXELJTWFMSRUATK-UHFFFAOYSA-N
MW310.08 g/mol
LogP3.45
Rot. Bonds1

About 2-fluoro-1,4,5-trimethyl-3-(trifluoromethoxy)benzene-6-ide;yttrium

2-fluoro-1,4,5-trimethyl-3-(trifluoromethoxy)benzene-6-ide;yttrium (PubChem CID 59067430) has the molecular formula C10H9F4OY- and a molecular weight of 310.08 g/mol. Its IUPAC name is 2-fluoro-1,4,5-trimethyl-3-(trifluoromethoxy)benzene-6-ide;yttrium.

Molecular Properties

Compound Name2-fluoro-1,4,5-trimethyl-3-(trifluoromethoxy)benzene-6-ide;yttrium
PubChem CID59067430
Molecular FormulaC10H9F4OY-
Molecular Weight310.08 g/mol
Exact Mass309.97
IUPAC Name2-fluoro-1,4,5-trimethyl-3-(trifluoromethoxy)benzene-6-ide;yttrium
SMILESCc1[c-]c(C)c(F)c(OC(F)(F)F)c1C.[Y]
InChIInChI=1S/C10H9F4O.Y/c1-5-4-6(2)8(11)9(7(5)3)15-10(12,13)14;/h1-3H3;/q-1;
InChIKeyXELJTWFMSRUATK-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.08
LogP ≤ 53.45
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-Methyl-4-(trifluoromethoxy)benzene-3,5-diide;undecakis(yttrium)
CID 20579981
2-Methoxy-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 21615684
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;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
2-(Trifluoromethoxy)-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 89184922
(2Z,4E)-3-methyl-4-(trifluoromethoxy)hexa-2,4-diene
CID 89672815
(3Z,5Z)-3,4,6,7-tetrafluoro-5-methoxy-2-(trifluoromethyl)hepta-1,3,5-triene
CID 89696955
3,4,5,6,6,6-Hexafluoro-2-(3,4,5,6,6,6-hexafluoro-5-methylhexa-1,3-dien-2-yl)oxy-5-methylhexa-1,3-diene
CID 90122674
2-Methyl-3-(trifluoromethoxy)cyclohexa-1,3-diene
CID 123582717

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,4,5-trimethyl-3-(trifluoromethoxy)benzene-6-ide;yttrium?
The IUPAC name of 2-fluoro-1,4,5-trimethyl-3-(trifluoromethoxy)benzene-6-ide;yttrium (CID 59067430) is 2-fluoro-1,4,5-trimethyl-3-(trifluoromethoxy)benzene-6-ide;yttrium.
What is the SMILES notation for 2-fluoro-1,4,5-trimethyl-3-(trifluoromethoxy)benzene-6-ide;yttrium?
The canonical SMILES for 2-fluoro-1,4,5-trimethyl-3-(trifluoromethoxy)benzene-6-ide;yttrium is Cc1[c-]c(C)c(F)c(OC(F)(F)F)c1C.[Y].
What is the InChIKey of 2-fluoro-1,4,5-trimethyl-3-(trifluoromethoxy)benzene-6-ide;yttrium?
The InChIKey is XELJTWFMSRUATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4O.Y/c1-5-4-6(2)8(11)9(7(5)3)15-10(12,13)14;/h1-3H3;/q-1;.
What are the key properties of 2-fluoro-1,4,5-trimethyl-3-(trifluoromethoxy)benzene-6-ide;yttrium?
2-fluoro-1,4,5-trimethyl-3-(trifluoromethoxy)benzene-6-ide;yttrium has a molecular weight of 310.08 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,4,5-trimethyl-3-(trifluoromethoxy)benzene-6-ide;yttrium is sourced from PubChem (CID 59067430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).