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

C11H10F3NO3 — CID 69004868

IUPAC2-hydroxy-4-[(2,3,4-trifluorophenyl)methyl]morpholin-3-one
SMILESO=C1C(O)OCCN1Cc1ccc(F)c(F)c1F
InChIInChI=1S/C11H10F3NO3/c12-7-2-1-6(8(13)9(7)14)5-15-3-4-18-11(17)10(15)16/h1-2,11,17H,3-5H2
InChIKeyQAMHKELKGVCZLB-UHFFFAOYSA-N
MW261.20 g/mol
LogP0.78
Rot. Bonds2

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

2-hydroxy-4-[(2,3,4-trifluorophenyl)methyl]morpholin-3-one (PubChem CID 69004868) has the molecular formula C11H10F3NO3 and a molecular weight of 261.20 g/mol. Its IUPAC name is 2-hydroxy-4-[(2,3,4-trifluorophenyl)methyl]morpholin-3-one.

Molecular Properties

Compound Name2-hydroxy-4-[(2,3,4-trifluorophenyl)methyl]morpholin-3-one
PubChem CID69004868
Molecular FormulaC11H10F3NO3
Molecular Weight261.20 g/mol
Exact Mass261.06
IUPAC Name2-hydroxy-4-[(2,3,4-trifluorophenyl)methyl]morpholin-3-one
SMILESO=C1C(O)OCCN1Cc1ccc(F)c(F)c1F
InChIInChI=1S/C11H10F3NO3/c12-7-2-1-6(8(13)9(7)14)5-15-3-4-18-11(17)10(15)16/h1-2,11,17H,3-5H2
InChIKeyQAMHKELKGVCZLB-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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Related Compounds

4-Benzyl-2-hydroxymorpholin-3-one
CID 9942497
4-Benzylmorpholine-3,5-dione
CID 1214546
N-[(3,4-difluorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 51076668
N-(4-Fluorobenzyl)-2-methoxy-N-methylacetamide
CID 60636060
Lactol trifluoroacetate
CID 11243600
4-Benzylmorpholine-2,3-dione
CID 3158764
4-Benzyl-2-methylmorpholin-3-one
CID 12294090
N-(2,2-dimethoxyethyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 12624914
4-Benzylmorpholin-3-one
CID 12294087
N-allyl-N-(4-fluorobenzyl)-2-isopropoxyacetamide
CID 50969657
3-(3,4-Difluorophenyl)-5-oxomorpholine-4-carboxylic acid
CID 15550632
4-Benzyl-2-methyl-6-(trifluoromethyl)morpholin-3-one
CID 18455591

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(2,3,4-trifluorophenyl)methyl]morpholin-3-one?
The IUPAC name of 2-hydroxy-4-[(2,3,4-trifluorophenyl)methyl]morpholin-3-one (CID 69004868) is 2-hydroxy-4-[(2,3,4-trifluorophenyl)methyl]morpholin-3-one.
What is the SMILES notation for 2-hydroxy-4-[(2,3,4-trifluorophenyl)methyl]morpholin-3-one?
The canonical SMILES for 2-hydroxy-4-[(2,3,4-trifluorophenyl)methyl]morpholin-3-one is O=C1C(O)OCCN1Cc1ccc(F)c(F)c1F.
What is the InChIKey of 2-hydroxy-4-[(2,3,4-trifluorophenyl)methyl]morpholin-3-one?
The InChIKey is QAMHKELKGVCZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO3/c12-7-2-1-6(8(13)9(7)14)5-15-3-4-18-11(17)10(15)16/h1-2,11,17H,3-5H2.
What are the key properties of 2-hydroxy-4-[(2,3,4-trifluorophenyl)methyl]morpholin-3-one?
2-hydroxy-4-[(2,3,4-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-[(2,3,4-trifluorophenyl)methyl]morpholin-3-one is sourced from PubChem (CID 69004868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).