4-[(2,3,4-trifluorophenyl)methyl]morpholine-2,3-dione

C11H8F3NO3 — CID 69004754

IUPAC4-[(2,3,4-trifluorophenyl)methyl]morpholine-2,3-dione
SMILESO=C1OCCN(Cc2ccc(F)c(F)c2F)C1=O
InChIInChI=1S/C11H8F3NO3/c12-7-2-1-6(8(13)9(7)14)5-15-3-4-18-11(17)10(15)16/h1-2H,3-5H2
InChIKeySKCJOLKKDVPQJW-UHFFFAOYSA-N
MW259.18 g/mol
LogP0.99
Rot. Bonds2

About 4-[(2,3,4-trifluorophenyl)methyl]morpholine-2,3-dione

4-[(2,3,4-trifluorophenyl)methyl]morpholine-2,3-dione (PubChem CID 69004754) has the molecular formula C11H8F3NO3 and a molecular weight of 259.18 g/mol. Its IUPAC name is 4-[(2,3,4-trifluorophenyl)methyl]morpholine-2,3-dione.

Molecular Properties

Compound Name4-[(2,3,4-trifluorophenyl)methyl]morpholine-2,3-dione
PubChem CID69004754
Molecular FormulaC11H8F3NO3
Molecular Weight259.18 g/mol
Exact Mass259.05
IUPAC Name4-[(2,3,4-trifluorophenyl)methyl]morpholine-2,3-dione
SMILESO=C1OCCN(Cc2ccc(F)c(F)c2F)C1=O
InChIInChI=1S/C11H8F3NO3/c12-7-2-1-6(8(13)9(7)14)5-15-3-4-18-11(17)10(15)16/h1-2H,3-5H2
InChIKeySKCJOLKKDVPQJW-UHFFFAOYSA-N
XLogP0.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3,4-trifluorophenyl)methyl]morpholine-2,3-dione?
The IUPAC name of 4-[(2,3,4-trifluorophenyl)methyl]morpholine-2,3-dione (CID 69004754) is 4-[(2,3,4-trifluorophenyl)methyl]morpholine-2,3-dione.
What is the SMILES notation for 4-[(2,3,4-trifluorophenyl)methyl]morpholine-2,3-dione?
The canonical SMILES for 4-[(2,3,4-trifluorophenyl)methyl]morpholine-2,3-dione is O=C1OCCN(Cc2ccc(F)c(F)c2F)C1=O.
What is the InChIKey of 4-[(2,3,4-trifluorophenyl)methyl]morpholine-2,3-dione?
The InChIKey is SKCJOLKKDVPQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO3/c12-7-2-1-6(8(13)9(7)14)5-15-3-4-18-11(17)10(15)16/h1-2H,3-5H2.
What are the key properties of 4-[(2,3,4-trifluorophenyl)methyl]morpholine-2,3-dione?
4-[(2,3,4-trifluorophenyl)methyl]morpholine-2,3-dione has a molecular weight of 259.18 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3,4-trifluorophenyl)methyl]morpholine-2,3-dione is sourced from PubChem (CID 69004754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).