2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one

C17H20FNO4 — CID 123761263

IUPAC2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one
SMILESO=C1C=CC(N2CCOCC2)C(C(O)C(F)c2ccccc2)O1
InChIInChI=1S/C17H20FNO4/c18-15(12-4-2-1-3-5-12)16(21)17-13(6-7-14(20)23-17)19-8-10-22-11-9-19/h1-7,13,15-17,21H,8-11H2
InChIKeyUNWXUFPGGZDOSA-UHFFFAOYSA-N
MW321.35 g/mol
LogP1.24
Rot. Bonds4

About 2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one

2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one (PubChem CID 123761263) has the molecular formula C17H20FNO4 and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one
PubChem CID123761263
Molecular FormulaC17H20FNO4
Molecular Weight321.35 g/mol
Exact Mass321.14
IUPAC Name2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one
SMILESO=C1C=CC(N2CCOCC2)C(C(O)C(F)c2ccccc2)O1
InChIInChI=1S/C17H20FNO4/c18-15(12-4-2-1-3-5-12)16(21)17-13(6-7-14(20)23-17)19-8-10-22-11-9-19/h1-7,13,15-17,21H,8-11H2
InChIKeyUNWXUFPGGZDOSA-UHFFFAOYSA-N
XLogP1.24
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one?
The IUPAC name of 2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one (CID 123761263) is 2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one?
The canonical SMILES for 2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one is O=C1C=CC(N2CCOCC2)C(C(O)C(F)c2ccccc2)O1.
What is the InChIKey of 2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one?
The InChIKey is UNWXUFPGGZDOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO4/c18-15(12-4-2-1-3-5-12)16(21)17-13(6-7-14(20)23-17)19-8-10-22-11-9-19/h1-7,13,15-17,21H,8-11H2.
What are the key properties of 2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one?
2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one has a molecular weight of 321.35 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one is sourced from PubChem (CID 123761263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).