(2,4-difluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone

C15H18F2N2O3 — CID 118741477

IUPAC(2,4-difluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1F)N1C[C@@H](O)[C@H](N2CCOCC2)C1
InChIInChI=1S/C15H18F2N2O3/c16-10-1-2-11(12(17)7-10)15(21)19-8-13(14(20)9-19)18-3-5-22-6-4-18/h1-2,7,13-14,20H,3-6,8-9H2/t13-,14-/m1/s1
InChIKeyHTHVGQOAQCIPAQ-ZIAGYGMSSA-N
MW312.32 g/mol
LogP0.48
Rot. Bonds2

About (2,4-difluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone

(2,4-difluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone (PubChem CID 118741477) has the molecular formula C15H18F2N2O3 and a molecular weight of 312.32 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
PubChem CID118741477
Molecular FormulaC15H18F2N2O3
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC Name(2,4-difluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1F)N1C[C@@H](O)[C@H](N2CCOCC2)C1
InChIInChI=1S/C15H18F2N2O3/c16-10-1-2-11(12(17)7-10)15(21)19-8-13(14(20)9-19)18-3-5-22-6-4-18/h1-2,7,13-14,20H,3-6,8-9H2/t13-,14-/m1/s1
InChIKeyHTHVGQOAQCIPAQ-ZIAGYGMSSA-N
XLogP0.48
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone (CID 118741477) is (2,4-difluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone is O=C(c1ccc(F)cc1F)N1C[C@@H](O)[C@H](N2CCOCC2)C1.
What is the InChIKey of (2,4-difluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The InChIKey is HTHVGQOAQCIPAQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H18F2N2O3/c16-10-1-2-11(12(17)7-10)15(21)19-8-13(14(20)9-19)18-3-5-22-6-4-18/h1-2,7,13-14,20H,3-6,8-9H2/t13-,14-/m1/s1.
What are the key properties of (2,4-difluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
(2,4-difluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone has a molecular weight of 312.32 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 118741477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).