N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2,2,2-trifluoroacetamide

C11H9F3N2O4 — CID 2976109

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2,2,2-trifluoroacetamide
SMILESO=C(NC(=O)C(F)(F)F)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C11H9F3N2O4/c12-11(13,14)9(17)16-10(18)15-6-1-2-7-8(5-6)20-4-3-19-7/h1-2,5H,3-4H2,(H2,15,16,17,18)
InChIKeyMASOQKBDFYYJNZ-UHFFFAOYSA-N
MW290.20 g/mol
LogP1.67
Rot. Bonds1

About N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2,2,2-trifluoroacetamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2,2,2-trifluoroacetamide (PubChem CID 2976109) has the molecular formula C11H9F3N2O4 and a molecular weight of 290.20 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2,2,2-trifluoroacetamide
PubChem CID2976109
Molecular FormulaC11H9F3N2O4
Molecular Weight290.20 g/mol
Exact Mass290.05
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2,2,2-trifluoroacetamide
SMILESO=C(NC(=O)C(F)(F)F)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C11H9F3N2O4/c12-11(13,14)9(17)16-10(18)15-6-1-2-7-8(5-6)20-4-3-19-7/h1-2,5H,3-4H2,(H2,15,16,17,18)
InChIKeyMASOQKBDFYYJNZ-UHFFFAOYSA-N
XLogP1.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2,2,2-trifluoroacetamide (CID 2976109) is N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2,2,2-trifluoroacetamide is O=C(NC(=O)C(F)(F)F)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2,2,2-trifluoroacetamide?
The InChIKey is MASOQKBDFYYJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O4/c12-11(13,14)9(17)16-10(18)15-6-1-2-7-8(5-6)20-4-3-19-7/h1-2,5H,3-4H2,(H2,15,16,17,18).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2,2,2-trifluoroacetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2,2,2-trifluoroacetamide has a molecular weight of 290.20 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 2976109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).