2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylbenzene-6-ide;yttrium

C11H6F9OY- — CID 159604641

IUPAC2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylbenzene-6-ide;yttrium
SMILESCc1[c-]cc(C(F)(C(F)(F)F)C(F)(F)F)cc1OC(F)F.[Y]
InChIInChI=1S/C11H6F9O.Y/c1-5-2-3-6(4-7(5)21-8(12)13)9(14,10(15,16)17)11(18,19)20;/h3-4,8H,1H3;/q-1;
InChIKeyNIIDYHUYCAHDEY-UHFFFAOYSA-N
MW414.06 g/mol
LogP4.68
Rot. Bonds3

About 2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylbenzene-6-ide;yttrium

2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylbenzene-6-ide;yttrium (PubChem CID 159604641) has the molecular formula C11H6F9OY- and a molecular weight of 414.06 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylbenzene-6-ide;yttrium.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylbenzene-6-ide;yttrium
PubChem CID159604641
Molecular FormulaC11H6F9OY-
Molecular Weight414.06 g/mol
Exact Mass413.93
IUPAC Name2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylbenzene-6-ide;yttrium
SMILESCc1[c-]cc(C(F)(C(F)(F)F)C(F)(F)F)cc1OC(F)F.[Y]
InChIInChI=1S/C11H6F9O.Y/c1-5-2-3-6(4-7(5)21-8(12)13)9(14,10(15,16)17)11(18,19)20;/h3-4,8H,1H3;/q-1;
InChIKeyNIIDYHUYCAHDEY-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.06
LogP ≤ 54.68
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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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylbenzene-6-ide;yttrium?
The IUPAC name of 2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylbenzene-6-ide;yttrium (CID 159604641) is 2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylbenzene-6-ide;yttrium.
What is the SMILES notation for 2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylbenzene-6-ide;yttrium?
The canonical SMILES for 2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylbenzene-6-ide;yttrium is Cc1[c-]cc(C(F)(C(F)(F)F)C(F)(F)F)cc1OC(F)F.[Y].
What is the InChIKey of 2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylbenzene-6-ide;yttrium?
The InChIKey is NIIDYHUYCAHDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F9O.Y/c1-5-2-3-6(4-7(5)21-8(12)13)9(14,10(15,16)17)11(18,19)20;/h3-4,8H,1H3;/q-1;.
What are the key properties of 2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylbenzene-6-ide;yttrium?
2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylbenzene-6-ide;yttrium has a molecular weight of 414.06 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylbenzene-6-ide;yttrium is sourced from PubChem (CID 159604641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).