methyl 2-(4,6-dimethyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate

C11H11F4NO2 — CID 121224717

IUPACmethyl 2-(4,6-dimethyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate
SMILESCOC(=O)C(F)(c1cc(C)cc(C)n1)C(F)(F)F
InChIInChI=1S/C11H11F4NO2/c1-6-4-7(2)16-8(5-6)10(12,9(17)18-3)11(13,14)15/h4-5H,1-3H3
InChIKeyFEEMOTQACUEOJL-UHFFFAOYSA-N
MW265.21 g/mol
LogP2.60
Rot. Bonds2

About methyl 2-(4,6-dimethyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate

methyl 2-(4,6-dimethyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate (PubChem CID 121224717) has the molecular formula C11H11F4NO2 and a molecular weight of 265.21 g/mol. Its IUPAC name is methyl 2-(4,6-dimethyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate.

Molecular Properties

Compound Namemethyl 2-(4,6-dimethyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate
PubChem CID121224717
Molecular FormulaC11H11F4NO2
Molecular Weight265.21 g/mol
Exact Mass265.07
IUPAC Namemethyl 2-(4,6-dimethyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate
SMILESCOC(=O)C(F)(c1cc(C)cc(C)n1)C(F)(F)F
InChIInChI=1S/C11H11F4NO2/c1-6-4-7(2)16-8(5-6)10(12,9(17)18-3)11(13,14)15/h4-5H,1-3H3
InChIKeyFEEMOTQACUEOJL-UHFFFAOYSA-N
XLogP2.60
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,6-dimethyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate?
The IUPAC name of methyl 2-(4,6-dimethyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate (CID 121224717) is methyl 2-(4,6-dimethyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate.
What is the SMILES notation for methyl 2-(4,6-dimethyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate?
The canonical SMILES for methyl 2-(4,6-dimethyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate is COC(=O)C(F)(c1cc(C)cc(C)n1)C(F)(F)F.
What is the InChIKey of methyl 2-(4,6-dimethyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate?
The InChIKey is FEEMOTQACUEOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO2/c1-6-4-7(2)16-8(5-6)10(12,9(17)18-3)11(13,14)15/h4-5H,1-3H3.
What are the key properties of methyl 2-(4,6-dimethyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate?
methyl 2-(4,6-dimethyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate has a molecular weight of 265.21 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,6-dimethyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate is sourced from PubChem (CID 121224717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).