(3R)-3-(3,5-difluorophenyl)-5-oxomorpholine-4-carboxylic acid

C11H9F2NO4 — CID 66973512

IUPAC(3R)-3-(3,5-difluorophenyl)-5-oxomorpholine-4-carboxylic acid
SMILESO=C(O)N1C(=O)COC[C@H]1c1cc(F)cc(F)c1
InChIInChI=1S/C11H9F2NO4/c12-7-1-6(2-8(13)3-7)9-4-18-5-10(15)14(9)11(16)17/h1-3,9H,4-5H2,(H,16,17)/t9-/m0/s1
InChIKeyKHRXPYCYPMEIII-VIFPVBQESA-N
MW257.19 g/mol
LogP1.54
Rot. Bonds1

About (3R)-3-(3,5-difluorophenyl)-5-oxomorpholine-4-carboxylic acid

(3R)-3-(3,5-difluorophenyl)-5-oxomorpholine-4-carboxylic acid (PubChem CID 66973512) has the molecular formula C11H9F2NO4 and a molecular weight of 257.19 g/mol. Its IUPAC name is (3R)-3-(3,5-difluorophenyl)-5-oxomorpholine-4-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(3,5-difluorophenyl)-5-oxomorpholine-4-carboxylic acid
PubChem CID66973512
Molecular FormulaC11H9F2NO4
Molecular Weight257.19 g/mol
Exact Mass257.05
IUPAC Name(3R)-3-(3,5-difluorophenyl)-5-oxomorpholine-4-carboxylic acid
SMILESO=C(O)N1C(=O)COC[C@H]1c1cc(F)cc(F)c1
InChIInChI=1S/C11H9F2NO4/c12-7-1-6(2-8(13)3-7)9-4-18-5-10(15)14(9)11(16)17/h1-3,9H,4-5H2,(H,16,17)/t9-/m0/s1
InChIKeyKHRXPYCYPMEIII-VIFPVBQESA-N
XLogP1.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Phenylmorpholin-3-one
CID 23071538
(5S)-5-phenylmorpholin-3-one
CID 11105904
(5R)-5-Phenylmorpholin-3-one
CID 44195698
3-(4-Fluorophenyl)-4-[(4-fluorophenyl)methyl]morpholine-2,5-dione
CID 3615800
(R)-5-(3-fluoro-phenyl)-morpholin-3-one
CID 58200295
(2S)-1-(Trifluoroacetyl)-2beta-phenyl-3alpha-acetoxypiperidine
CID 12035421
[(2R,3R)-2-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-3-yl] acetate
CID 135015896
3-(3,4-Difluorophenyl)-5-oxomorpholine-4-carboxylic acid
CID 15550632
5-(3,4-Difluoro-phenyl)-morpholin-3-one
CID 18623221
(+/-)-2,2-Dimethyl-3-(3,4-difluorophenyl)-5-oxo-morpholine
CID 18623225
2-Oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxylic acid
CID 18789782
(4S)-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid
CID 20668509

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,5-difluorophenyl)-5-oxomorpholine-4-carboxylic acid?
The IUPAC name of (3R)-3-(3,5-difluorophenyl)-5-oxomorpholine-4-carboxylic acid (CID 66973512) is (3R)-3-(3,5-difluorophenyl)-5-oxomorpholine-4-carboxylic acid.
What is the SMILES notation for (3R)-3-(3,5-difluorophenyl)-5-oxomorpholine-4-carboxylic acid?
The canonical SMILES for (3R)-3-(3,5-difluorophenyl)-5-oxomorpholine-4-carboxylic acid is O=C(O)N1C(=O)COC[C@H]1c1cc(F)cc(F)c1.
What is the InChIKey of (3R)-3-(3,5-difluorophenyl)-5-oxomorpholine-4-carboxylic acid?
The InChIKey is KHRXPYCYPMEIII-VIFPVBQESA-N. The full InChI is InChI=1S/C11H9F2NO4/c12-7-1-6(2-8(13)3-7)9-4-18-5-10(15)14(9)11(16)17/h1-3,9H,4-5H2,(H,16,17)/t9-/m0/s1.
What are the key properties of (3R)-3-(3,5-difluorophenyl)-5-oxomorpholine-4-carboxylic acid?
(3R)-3-(3,5-difluorophenyl)-5-oxomorpholine-4-carboxylic acid has a molecular weight of 257.19 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,5-difluorophenyl)-5-oxomorpholine-4-carboxylic acid is sourced from PubChem (CID 66973512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).