2-ethyl-6-(trifluoromethyl)pyridine;4-methyl-3,4,5,6-tetrahydro-2H-pyran-6-ide;yttrium

C14H19F3NOY- — CID 171557878

IUPAC2-ethyl-6-(trifluoromethyl)pyridine;4-methyl-3,4,5,6-tetrahydro-2H-pyran-6-ide;yttrium
SMILESCC1C[CH-]OCC1.CCc1cccc(C(F)(F)F)n1.[Y]
InChIInChI=1S/C8H8F3N.C6H11O.Y/c1-2-6-4-3-5-7(12-6)8(9,10)11;1-6-2-4-7-5-3-6;/h3-5H,2H2,1H3;4,6H,2-3,5H2,1H3;/q;-1;
InChIKeyQKQIAICZFAKQQH-UHFFFAOYSA-N
MW363.21 g/mol
LogP4.25
Rot. Bonds1

About 2-ethyl-6-(trifluoromethyl)pyridine;4-methyl-3,4,5,6-tetrahydro-2H-pyran-6-ide;yttrium

2-ethyl-6-(trifluoromethyl)pyridine;4-methyl-3,4,5,6-tetrahydro-2H-pyran-6-ide;yttrium (PubChem CID 171557878) has the molecular formula C14H19F3NOY- and a molecular weight of 363.21 g/mol. Its IUPAC name is 2-ethyl-6-(trifluoromethyl)pyridine;4-methyl-3,4,5,6-tetrahydro-2H-pyran-6-ide;yttrium.

Molecular Properties

Compound Name2-ethyl-6-(trifluoromethyl)pyridine;4-methyl-3,4,5,6-tetrahydro-2H-pyran-6-ide;yttrium
PubChem CID171557878
Molecular FormulaC14H19F3NOY-
Molecular Weight363.21 g/mol
Exact Mass363.05
IUPAC Name2-ethyl-6-(trifluoromethyl)pyridine;4-methyl-3,4,5,6-tetrahydro-2H-pyran-6-ide;yttrium
SMILESCC1C[CH-]OCC1.CCc1cccc(C(F)(F)F)n1.[Y]
InChIInChI=1S/C8H8F3N.C6H11O.Y/c1-2-6-4-3-5-7(12-6)8(9,10)11;1-6-2-4-7-5-3-6;/h3-5H,2H2,1H3;4,6H,2-3,5H2,1H3;/q;-1;
InChIKeyQKQIAICZFAKQQH-UHFFFAOYSA-N
XLogP4.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 54.25
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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(trifluoromethyl)pyridine;4-methyl-3,4,5,6-tetrahydro-2H-pyran-6-ide;yttrium?
The IUPAC name of 2-ethyl-6-(trifluoromethyl)pyridine;4-methyl-3,4,5,6-tetrahydro-2H-pyran-6-ide;yttrium (CID 171557878) is 2-ethyl-6-(trifluoromethyl)pyridine;4-methyl-3,4,5,6-tetrahydro-2H-pyran-6-ide;yttrium.
What is the SMILES notation for 2-ethyl-6-(trifluoromethyl)pyridine;4-methyl-3,4,5,6-tetrahydro-2H-pyran-6-ide;yttrium?
The canonical SMILES for 2-ethyl-6-(trifluoromethyl)pyridine;4-methyl-3,4,5,6-tetrahydro-2H-pyran-6-ide;yttrium is CC1C[CH-]OCC1.CCc1cccc(C(F)(F)F)n1.[Y].
What is the InChIKey of 2-ethyl-6-(trifluoromethyl)pyridine;4-methyl-3,4,5,6-tetrahydro-2H-pyran-6-ide;yttrium?
The InChIKey is QKQIAICZFAKQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N.C6H11O.Y/c1-2-6-4-3-5-7(12-6)8(9,10)11;1-6-2-4-7-5-3-6;/h3-5H,2H2,1H3;4,6H,2-3,5H2,1H3;/q;-1;.
What are the key properties of 2-ethyl-6-(trifluoromethyl)pyridine;4-methyl-3,4,5,6-tetrahydro-2H-pyran-6-ide;yttrium?
2-ethyl-6-(trifluoromethyl)pyridine;4-methyl-3,4,5,6-tetrahydro-2H-pyran-6-ide;yttrium has a molecular weight of 363.21 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(trifluoromethyl)pyridine;4-methyl-3,4,5,6-tetrahydro-2H-pyran-6-ide;yttrium is sourced from PubChem (CID 171557878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).