1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3,3,3-trifluoropropan-1-one

C10H9F3N2O2 — CID 166223828

IUPAC1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3,3,3-trifluoropropan-1-one
SMILESO=C(CC(F)(F)F)N1CCOc2ncccc21
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)6-8(16)15-4-5-17-9-7(15)2-1-3-14-9/h1-3H,4-6H2
InChIKeyUPUNILLPLZXCSA-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.76
Rot. Bonds1

About 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3,3,3-trifluoropropan-1-one

1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3,3,3-trifluoropropan-1-one (PubChem CID 166223828) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3,3,3-trifluoropropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3,3,3-trifluoropropan-1-one
PubChem CID166223828
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3,3,3-trifluoropropan-1-one
SMILESO=C(CC(F)(F)F)N1CCOc2ncccc21
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)6-8(16)15-4-5-17-9-7(15)2-1-3-14-9/h1-3H,4-6H2
InChIKeyUPUNILLPLZXCSA-UHFFFAOYSA-N
XLogP1.76
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3,3,3-trifluoropropan-1-one?
The IUPAC name of 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3,3,3-trifluoropropan-1-one (CID 166223828) is 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3,3,3-trifluoropropan-1-one.
What is the SMILES notation for 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3,3,3-trifluoropropan-1-one?
The canonical SMILES for 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3,3,3-trifluoropropan-1-one is O=C(CC(F)(F)F)N1CCOc2ncccc21.
What is the InChIKey of 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3,3,3-trifluoropropan-1-one?
The InChIKey is UPUNILLPLZXCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c11-10(12,13)6-8(16)15-4-5-17-9-7(15)2-1-3-14-9/h1-3H,4-6H2.
What are the key properties of 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3,3,3-trifluoropropan-1-one?
1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3,3,3-trifluoropropan-1-one has a molecular weight of 246.19 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3,3,3-trifluoropropan-1-one is sourced from PubChem (CID 166223828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).