4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid

C15H15F2NO4 — CID 119216768

IUPAC4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)C1CC1c1ccc(F)cc1F
InChIInChI=1S/C15H15F2NO4/c16-8-1-2-9(12(17)5-8)10-6-11(10)14(19)18-3-4-22-7-13(18)15(20)21/h1-2,5,10-11,13H,3-4,6-7H2,(H,20,21)
InChIKeyNLWMYEWWLQFMRY-UHFFFAOYSA-N
MW311.28 g/mol
LogP1.38
Rot. Bonds3

About 4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid

4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid (PubChem CID 119216768) has the molecular formula C15H15F2NO4 and a molecular weight of 311.28 g/mol. Its IUPAC name is 4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
PubChem CID119216768
Molecular FormulaC15H15F2NO4
Molecular Weight311.28 g/mol
Exact Mass311.10
IUPAC Name4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)C1CC1c1ccc(F)cc1F
InChIInChI=1S/C15H15F2NO4/c16-8-1-2-9(12(17)5-8)10-6-11(10)14(19)18-3-4-22-7-13(18)15(20)21/h1-2,5,10-11,13H,3-4,6-7H2,(H,20,21)
InChIKeyNLWMYEWWLQFMRY-UHFFFAOYSA-N
XLogP1.38
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid (CID 119216768) is 4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)C1CC1c1ccc(F)cc1F.
What is the InChIKey of 4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid?
The InChIKey is NLWMYEWWLQFMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO4/c16-8-1-2-9(12(17)5-8)10-6-11(10)14(19)18-3-4-22-7-13(18)15(20)21/h1-2,5,10-11,13H,3-4,6-7H2,(H,20,21).
What are the key properties of 4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid?
4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid has a molecular weight of 311.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119216768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).