2-hydroxy-4-[(3,4,5-trifluorophenyl)methyl]morpholin-3-one

C11H10F3NO3 — CID 69004710

IUPAC2-hydroxy-4-[(3,4,5-trifluorophenyl)methyl]morpholin-3-one
SMILESO=C1C(O)OCCN1Cc1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H10F3NO3/c12-7-3-6(4-8(13)9(7)14)5-15-1-2-18-11(17)10(15)16/h3-4,11,17H,1-2,5H2
InChIKeyJSZDTBIZLQMGQL-UHFFFAOYSA-N
MW261.20 g/mol
LogP0.78
Rot. Bonds2

About 2-hydroxy-4-[(3,4,5-trifluorophenyl)methyl]morpholin-3-one

2-hydroxy-4-[(3,4,5-trifluorophenyl)methyl]morpholin-3-one (PubChem CID 69004710) has the molecular formula C11H10F3NO3 and a molecular weight of 261.20 g/mol. Its IUPAC name is 2-hydroxy-4-[(3,4,5-trifluorophenyl)methyl]morpholin-3-one.

Molecular Properties

Compound Name2-hydroxy-4-[(3,4,5-trifluorophenyl)methyl]morpholin-3-one
PubChem CID69004710
Molecular FormulaC11H10F3NO3
Molecular Weight261.20 g/mol
Exact Mass261.06
IUPAC Name2-hydroxy-4-[(3,4,5-trifluorophenyl)methyl]morpholin-3-one
SMILESO=C1C(O)OCCN1Cc1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H10F3NO3/c12-7-3-6(4-8(13)9(7)14)5-15-1-2-18-11(17)10(15)16/h3-4,11,17H,1-2,5H2
InChIKeyJSZDTBIZLQMGQL-UHFFFAOYSA-N
XLogP0.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(3,4,5-trifluorophenyl)methyl]morpholin-3-one?
The IUPAC name of 2-hydroxy-4-[(3,4,5-trifluorophenyl)methyl]morpholin-3-one (CID 69004710) is 2-hydroxy-4-[(3,4,5-trifluorophenyl)methyl]morpholin-3-one.
What is the SMILES notation for 2-hydroxy-4-[(3,4,5-trifluorophenyl)methyl]morpholin-3-one?
The canonical SMILES for 2-hydroxy-4-[(3,4,5-trifluorophenyl)methyl]morpholin-3-one is O=C1C(O)OCCN1Cc1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-hydroxy-4-[(3,4,5-trifluorophenyl)methyl]morpholin-3-one?
The InChIKey is JSZDTBIZLQMGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO3/c12-7-3-6(4-8(13)9(7)14)5-15-1-2-18-11(17)10(15)16/h3-4,11,17H,1-2,5H2.
What are the key properties of 2-hydroxy-4-[(3,4,5-trifluorophenyl)methyl]morpholin-3-one?
2-hydroxy-4-[(3,4,5-trifluorophenyl)methyl]morpholin-3-one has a molecular weight of 261.20 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(3,4,5-trifluorophenyl)methyl]morpholin-3-one is sourced from PubChem (CID 69004710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).