N-(1,1-difluoro-2-methylpropan-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide

C12H15F2NO4 — CID 166256656

IUPACN-(1,1-difluoro-2-methylpropan-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
SMILESCc1occc(=O)c1OCC(=O)NC(C)(C)C(F)F
InChIInChI=1S/C12H15F2NO4/c1-7-10(8(16)4-5-18-7)19-6-9(17)15-12(2,3)11(13)14/h4-5,11H,6H2,1-3H3,(H,15,17)
InChIKeyIODWTXUBUXJMNP-UHFFFAOYSA-N
MW275.25 g/mol
LogP1.49
Rot. Bonds5

About N-(1,1-difluoro-2-methylpropan-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide

N-(1,1-difluoro-2-methylpropan-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide (PubChem CID 166256656) has the molecular formula C12H15F2NO4 and a molecular weight of 275.25 g/mol. Its IUPAC name is N-(1,1-difluoro-2-methylpropan-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(1,1-difluoro-2-methylpropan-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
PubChem CID166256656
Molecular FormulaC12H15F2NO4
Molecular Weight275.25 g/mol
Exact Mass275.10
IUPAC NameN-(1,1-difluoro-2-methylpropan-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
SMILESCc1occc(=O)c1OCC(=O)NC(C)(C)C(F)F
InChIInChI=1S/C12H15F2NO4/c1-7-10(8(16)4-5-18-7)19-6-9(17)15-12(2,3)11(13)14/h4-5,11H,6H2,1-3H3,(H,15,17)
InChIKeyIODWTXUBUXJMNP-UHFFFAOYSA-N
XLogP1.49
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoro-2-methylpropan-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The IUPAC name of N-(1,1-difluoro-2-methylpropan-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide (CID 166256656) is N-(1,1-difluoro-2-methylpropan-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide.
What is the SMILES notation for N-(1,1-difluoro-2-methylpropan-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The canonical SMILES for N-(1,1-difluoro-2-methylpropan-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide is Cc1occc(=O)c1OCC(=O)NC(C)(C)C(F)F.
What is the InChIKey of N-(1,1-difluoro-2-methylpropan-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The InChIKey is IODWTXUBUXJMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO4/c1-7-10(8(16)4-5-18-7)19-6-9(17)15-12(2,3)11(13)14/h4-5,11H,6H2,1-3H3,(H,15,17).
What are the key properties of N-(1,1-difluoro-2-methylpropan-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
N-(1,1-difluoro-2-methylpropan-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide has a molecular weight of 275.25 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoro-2-methylpropan-2-yl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide is sourced from PubChem (CID 166256656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).