methyl (2E)-2-[4-(ethylideneamino)oxy-2-(trifluoromethyl)pyrimidin-5-yl]-2-methoxyiminoacetate;yttrium

C11H10F3N4O4Y- — CID 59951763

IUPACmethyl (2E)-2-[4-(ethylideneamino)oxy-2-(trifluoromethyl)pyrimidin-5-yl]-2-methoxyiminoacetate;yttrium
SMILESC/[C-]=N\Oc1nc(C(F)(F)F)ncc1/C(=N\OC)C(=O)OC.[Y]
InChIInChI=1S/C11H10F3N4O4.Y/c1-4-16-22-8-6(7(18-21-3)9(19)20-2)5-15-10(17-8)11(12,13)14;/h5H,1-3H3;/q-1;/b18-7+;
InChIKeyZVCHNMNSGVRSCU-CWSPIBBISA-N
MW408.13 g/mol
LogP1.28
Rot. Bonds5

About methyl (2E)-2-[4-(ethylideneamino)oxy-2-(trifluoromethyl)pyrimidin-5-yl]-2-methoxyiminoacetate;yttrium

methyl (2E)-2-[4-(ethylideneamino)oxy-2-(trifluoromethyl)pyrimidin-5-yl]-2-methoxyiminoacetate;yttrium (PubChem CID 59951763) has the molecular formula C11H10F3N4O4Y- and a molecular weight of 408.13 g/mol. Its IUPAC name is methyl (2E)-2-[4-(ethylideneamino)oxy-2-(trifluoromethyl)pyrimidin-5-yl]-2-methoxyiminoacetate;yttrium.

Molecular Properties

Compound Namemethyl (2E)-2-[4-(ethylideneamino)oxy-2-(trifluoromethyl)pyrimidin-5-yl]-2-methoxyiminoacetate;yttrium
PubChem CID59951763
Molecular FormulaC11H10F3N4O4Y-
Molecular Weight408.13 g/mol
Exact Mass407.97
IUPAC Namemethyl (2E)-2-[4-(ethylideneamino)oxy-2-(trifluoromethyl)pyrimidin-5-yl]-2-methoxyiminoacetate;yttrium
SMILESC/[C-]=N\Oc1nc(C(F)(F)F)ncc1/C(=N\OC)C(=O)OC.[Y]
InChIInChI=1S/C11H10F3N4O4.Y/c1-4-16-22-8-6(7(18-21-3)9(19)20-2)5-15-10(17-8)11(12,13)14;/h5H,1-3H3;/q-1;/b18-7+;
InChIKeyZVCHNMNSGVRSCU-CWSPIBBISA-N
XLogP1.28
TPSA95.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.13
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-[4-(ethylideneamino)oxy-2-(trifluoromethyl)pyrimidin-5-yl]-2-methoxyiminoacetate;yttrium?
The IUPAC name of methyl (2E)-2-[4-(ethylideneamino)oxy-2-(trifluoromethyl)pyrimidin-5-yl]-2-methoxyiminoacetate;yttrium (CID 59951763) is methyl (2E)-2-[4-(ethylideneamino)oxy-2-(trifluoromethyl)pyrimidin-5-yl]-2-methoxyiminoacetate;yttrium.
What is the SMILES notation for methyl (2E)-2-[4-(ethylideneamino)oxy-2-(trifluoromethyl)pyrimidin-5-yl]-2-methoxyiminoacetate;yttrium?
The canonical SMILES for methyl (2E)-2-[4-(ethylideneamino)oxy-2-(trifluoromethyl)pyrimidin-5-yl]-2-methoxyiminoacetate;yttrium is C/[C-]=N\Oc1nc(C(F)(F)F)ncc1/C(=N\OC)C(=O)OC.[Y].
What is the InChIKey of methyl (2E)-2-[4-(ethylideneamino)oxy-2-(trifluoromethyl)pyrimidin-5-yl]-2-methoxyiminoacetate;yttrium?
The InChIKey is ZVCHNMNSGVRSCU-CWSPIBBISA-N. The full InChI is InChI=1S/C11H10F3N4O4.Y/c1-4-16-22-8-6(7(18-21-3)9(19)20-2)5-15-10(17-8)11(12,13)14;/h5H,1-3H3;/q-1;/b18-7+;.
What are the key properties of methyl (2E)-2-[4-(ethylideneamino)oxy-2-(trifluoromethyl)pyrimidin-5-yl]-2-methoxyiminoacetate;yttrium?
methyl (2E)-2-[4-(ethylideneamino)oxy-2-(trifluoromethyl)pyrimidin-5-yl]-2-methoxyiminoacetate;yttrium has a molecular weight of 408.13 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-[4-(ethylideneamino)oxy-2-(trifluoromethyl)pyrimidin-5-yl]-2-methoxyiminoacetate;yttrium is sourced from PubChem (CID 59951763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).