2-(2-fluoro-1-hydroxy-2-phenylethyl)-2,3-dihydropyran-6-one;2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methoxy-2,3-dihydropyran-6-one;(2R)-2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]acetamide;[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl] acetate;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]methanesulfonamide

C88H95F6N3O25S — CID 158438650

IUPAC2-(2-fluoro-1-hydroxy-2-phenylethyl)-2,3-dihydropyran-6-one;2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methoxy-2,3-dihydropyran-6-one;(2R)-2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]acetamide;[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl] acetate;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]methanesulfonamide
SMILESCC(=O)NC1C=CC(=O)OC1C(O)C(F)c1ccccc1.CC(=O)OC1C=CC(=O)OC1C(O)C(F)c1ccccc1.COC1C=CC(=O)OC1C(O)C(F)c1ccccc1.CS(=O)(=O)NC1C=CC(=O)OC1C(O)C(F)c1ccccc1.O=C1C=CC(N2CCOCC2)[C@H](C(O)C(F)c2ccccc2)O1.O=C1C=CCC(C(O)C(F)c2ccccc2)O1
InChIInChI=1S/C17H20FNO4.C15H16FNO4.C15H15FO5.C14H16FNO5S.C14H15FO4.C13H13FO3/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;1-9(18)17-11-7-8-12(19)21-15(11)14(20)13(16)10-5-3-2-4-6-10;1-9(17)20-11-7-8-12(18)21-15(11)14(19)13(16)10-5-3-2-4-6-10;1-22(19,20)16-10-7-8-11(17)21-14(10)13(18)12(15)9-5-3-2-4-6-9;1-18-10-7-8-11(16)19-14(10)13(17)12(15)9-5-3-2-4-6-9;14-12(9-5-2-1-3-6-9)13(16)10-7-4-8-11(15)17-10/h1-7,13,15-17,21H,8-11H2;2-8,11,13-15,20H,1H3,(H,17,18);2-8,11,13-15,19H,1H3;2-8,10,12-14,16,18H,1H3;2-8,10,12-14,17H,1H3;1-6,8,10,12-13,16H,7H2/t13?,15?,16?,17-;;;;;/m1...../s1
InChIKeyHCNSCDHHRVYZTH-CDCJEOPASA-N
MW1740.78 g/mol
LogP7.70
Rot. Bonds24

About 2-(2-fluoro-1-hydroxy-2-phenylethyl)-2,3-dihydropyran-6-one;2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methoxy-2,3-dihydropyran-6-one;(2R)-2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]acetamide;[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl] acetate;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]methanesulfonamide

2-(2-fluoro-1-hydroxy-2-phenylethyl)-2,3-dihydropyran-6-one;2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methoxy-2,3-dihydropyran-6-one;(2R)-2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]acetamide;[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl] acetate;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]methanesulfonamide (PubChem CID 158438650) has the molecular formula C88H95F6N3O25S and a molecular weight of 1740.78 g/mol. Its IUPAC name is 2-(2-fluoro-1-hydroxy-2-phenylethyl)-2,3-dihydropyran-6-one;2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methoxy-2,3-dihydropyran-6-one;(2R)-2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]acetamide;[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl] acetate;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]methanesulfonamide.

Molecular Properties

Compound Name2-(2-fluoro-1-hydroxy-2-phenylethyl)-2,3-dihydropyran-6-one;2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methoxy-2,3-dihydropyran-6-one;(2R)-2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]acetamide;[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl] acetate;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]methanesulfonamide
PubChem CID158438650
Molecular FormulaC88H95F6N3O25S
Molecular Weight1740.78 g/mol
Exact Mass1739.59
IUPAC Name2-(2-fluoro-1-hydroxy-2-phenylethyl)-2,3-dihydropyran-6-one;2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methoxy-2,3-dihydropyran-6-one;(2R)-2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]acetamide;[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl] acetate;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]methanesulfonamide
SMILESCC(=O)NC1C=CC(=O)OC1C(O)C(F)c1ccccc1.CC(=O)OC1C=CC(=O)OC1C(O)C(F)c1ccccc1.COC1C=CC(=O)OC1C(O)C(F)c1ccccc1.CS(=O)(=O)NC1C=CC(=O)OC1C(O)C(F)c1ccccc1.O=C1C=CC(N2CCOCC2)[C@H](C(O)C(F)c2ccccc2)O1.O=C1C=CCC(C(O)C(F)c2ccccc2)O1
InChIInChI=1S/C17H20FNO4.C15H16FNO4.C15H15FO5.C14H16FNO5S.C14H15FO4.C13H13FO3/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;1-9(18)17-11-7-8-12(19)21-15(11)14(20)13(16)10-5-3-2-4-6-10;1-9(17)20-11-7-8-12(18)21-15(11)14(19)13(16)10-5-3-2-4-6-10;1-22(19,20)16-10-7-8-11(17)21-14(10)13(18)12(15)9-5-3-2-4-6-9;1-18-10-7-8-11(16)19-14(10)13(17)12(15)9-5-3-2-4-6-9;14-12(9-5-2-1-3-6-9)13(16)10-7-4-8-11(15)17-10/h1-7,13,15-17,21H,8-11H2;2-8,11,13-15,20H,1H3,(H,17,18);2-8,11,13-15,19H,1H3;2-8,10,12-14,16,18H,1H3;2-8,10,12-14,17H,1H3;1-6,8,10,12-13,16H,7H2/t13?,15?,16?,17-;;;;;/m1...../s1
InChIKeyHCNSCDHHRVYZTH-CDCJEOPASA-N
XLogP7.70
TPSA402.45 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001740.78
LogP ≤ 57.70
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 2-(2-fluoro-1-hydroxy-2-phenylethyl)-2,3-dihydropyran-6-one;2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methoxy-2,3-dihydropyran-6-one;(2R)-2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]acetamide;[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl] acetate;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-1-hydroxy-2-phenylethyl)-2,3-dihydropyran-6-one;2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methoxy-2,3-dihydropyran-6-one;(2R)-2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]acetamide;[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl] acetate;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]methanesulfonamide?
The IUPAC name of 2-(2-fluoro-1-hydroxy-2-phenylethyl)-2,3-dihydropyran-6-one;2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methoxy-2,3-dihydropyran-6-one;(2R)-2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]acetamide;[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl] acetate;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]methanesulfonamide (CID 158438650) is 2-(2-fluoro-1-hydroxy-2-phenylethyl)-2,3-dihydropyran-6-one;2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methoxy-2,3-dihydropyran-6-one;(2R)-2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]acetamide;[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl] acetate;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]methanesulfonamide.
What is the SMILES notation for 2-(2-fluoro-1-hydroxy-2-phenylethyl)-2,3-dihydropyran-6-one;2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methoxy-2,3-dihydropyran-6-one;(2R)-2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]acetamide;[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl] acetate;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]methanesulfonamide?
The canonical SMILES for 2-(2-fluoro-1-hydroxy-2-phenylethyl)-2,3-dihydropyran-6-one;2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methoxy-2,3-dihydropyran-6-one;(2R)-2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]acetamide;[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl] acetate;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]methanesulfonamide is CC(=O)NC1C=CC(=O)OC1C(O)C(F)c1ccccc1.CC(=O)OC1C=CC(=O)OC1C(O)C(F)c1ccccc1.COC1C=CC(=O)OC1C(O)C(F)c1ccccc1.CS(=O)(=O)NC1C=CC(=O)OC1C(O)C(F)c1ccccc1.O=C1C=CC(N2CCOCC2)[C@H](C(O)C(F)c2ccccc2)O1.O=C1C=CCC(C(O)C(F)c2ccccc2)O1.
What is the InChIKey of 2-(2-fluoro-1-hydroxy-2-phenylethyl)-2,3-dihydropyran-6-one;2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methoxy-2,3-dihydropyran-6-one;(2R)-2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]acetamide;[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl] acetate;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]methanesulfonamide?
The InChIKey is HCNSCDHHRVYZTH-CDCJEOPASA-N. The full InChI is InChI=1S/C17H20FNO4.C15H16FNO4.C15H15FO5.C14H16FNO5S.C14H15FO4.C13H13FO3/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;1-9(18)17-11-7-8-12(19)21-15(11)14(20)13(16)10-5-3-2-4-6-10;1-9(17)20-11-7-8-12(18)21-15(11)14(19)13(16)10-5-3-2-4-6-10;1-22(19,20)16-10-7-8-11(17)21-14(10)13(18)12(15)9-5-3-2-4-6-9;1-18-10-7-8-11(16)19-14(10)13(17)12(15)9-5-3-2-4-6-9;14-12(9-5-2-1-3-6-9)13(16)10-7-4-8-11(15)17-10/h1-7,13,15-17,21H,8-11H2;2-8,11,13-15,20H,1H3,(H,17,18);2-8,11,13-15,19H,1H3;2-8,10,12-14,16,18H,1H3;2-8,10,12-14,17H,1H3;1-6,8,10,12-13,16H,7H2/t13?,15?,16?,17-;;;;;/m1...../s1.
What are the key properties of 2-(2-fluoro-1-hydroxy-2-phenylethyl)-2,3-dihydropyran-6-one;2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methoxy-2,3-dihydropyran-6-one;(2R)-2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]acetamide;[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl] acetate;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]methanesulfonamide?
2-(2-fluoro-1-hydroxy-2-phenylethyl)-2,3-dihydropyran-6-one;2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methoxy-2,3-dihydropyran-6-one;(2R)-2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]acetamide;[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl] acetate;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]methanesulfonamide has a molecular weight of 1740.78 g/mol, XLogP of 7.70, 24 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-1-hydroxy-2-phenylethyl)-2,3-dihydropyran-6-one;2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methoxy-2,3-dihydropyran-6-one;(2R)-2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-morpholin-4-yl-2,3-dihydropyran-6-one;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]acetamide;[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl] acetate;N-[2-(2-fluoro-1-hydroxy-2-phenylethyl)-6-oxo-2,3-dihydropyran-3-yl]methanesulfonamide is sourced from PubChem (CID 158438650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).