(5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxomorpholine-4-carboxylic acid

C13H13F2NO4 — CID 66973545

IUPAC(5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxomorpholine-4-carboxylic acid
SMILESCC1(C)OC[C@@H](c2cc(F)cc(F)c2)N(C(=O)O)C1=O
InChIInChI=1S/C13H13F2NO4/c1-13(2)11(17)16(12(18)19)10(6-20-13)7-3-8(14)5-9(15)4-7/h3-5,10H,6H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyZSLUICCEPXFJOC-JTQLQIEISA-N
MW285.25 g/mol
LogP2.32
Rot. Bonds1

About (5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxomorpholine-4-carboxylic acid

(5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxomorpholine-4-carboxylic acid (PubChem CID 66973545) has the molecular formula C13H13F2NO4 and a molecular weight of 285.25 g/mol. Its IUPAC name is (5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxomorpholine-4-carboxylic acid.

Molecular Properties

Compound Name(5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxomorpholine-4-carboxylic acid
PubChem CID66973545
Molecular FormulaC13H13F2NO4
Molecular Weight285.25 g/mol
Exact Mass285.08
IUPAC Name(5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxomorpholine-4-carboxylic acid
SMILESCC1(C)OC[C@@H](c2cc(F)cc(F)c2)N(C(=O)O)C1=O
InChIInChI=1S/C13H13F2NO4/c1-13(2)11(17)16(12(18)19)10(6-20-13)7-3-8(14)5-9(15)4-7/h3-5,10H,6H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyZSLUICCEPXFJOC-JTQLQIEISA-N
XLogP2.32
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxomorpholine-4-carboxylic acid?
The IUPAC name of (5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxomorpholine-4-carboxylic acid (CID 66973545) is (5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxomorpholine-4-carboxylic acid.
What is the SMILES notation for (5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxomorpholine-4-carboxylic acid?
The canonical SMILES for (5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxomorpholine-4-carboxylic acid is CC1(C)OC[C@@H](c2cc(F)cc(F)c2)N(C(=O)O)C1=O.
What is the InChIKey of (5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxomorpholine-4-carboxylic acid?
The InChIKey is ZSLUICCEPXFJOC-JTQLQIEISA-N. The full InChI is InChI=1S/C13H13F2NO4/c1-13(2)11(17)16(12(18)19)10(6-20-13)7-3-8(14)5-9(15)4-7/h3-5,10H,6H2,1-2H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxomorpholine-4-carboxylic acid?
(5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxomorpholine-4-carboxylic acid has a molecular weight of 285.25 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxomorpholine-4-carboxylic acid is sourced from PubChem (CID 66973545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).