4-[(4-fluorophenyl)methyl]-2-hydroxy-6,6-dimethylmorpholin-3-one

C13H16FNO3 — CID 68909019

IUPAC4-[(4-fluorophenyl)methyl]-2-hydroxy-6,6-dimethylmorpholin-3-one
SMILESCC1(C)CN(Cc2ccc(F)cc2)C(=O)C(O)O1
InChIInChI=1S/C13H16FNO3/c1-13(2)8-15(11(16)12(17)18-13)7-9-3-5-10(14)6-4-9/h3-6,12,17H,7-8H2,1-2H3
InChIKeyDNULDRFQKYTKIZ-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.28
Rot. Bonds2

About 4-[(4-fluorophenyl)methyl]-2-hydroxy-6,6-dimethylmorpholin-3-one

4-[(4-fluorophenyl)methyl]-2-hydroxy-6,6-dimethylmorpholin-3-one (PubChem CID 68909019) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-2-hydroxy-6,6-dimethylmorpholin-3-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-2-hydroxy-6,6-dimethylmorpholin-3-one
PubChem CID68909019
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name4-[(4-fluorophenyl)methyl]-2-hydroxy-6,6-dimethylmorpholin-3-one
SMILESCC1(C)CN(Cc2ccc(F)cc2)C(=O)C(O)O1
InChIInChI=1S/C13H16FNO3/c1-13(2)8-15(11(16)12(17)18-13)7-9-3-5-10(14)6-4-9/h3-6,12,17H,7-8H2,1-2H3
InChIKeyDNULDRFQKYTKIZ-UHFFFAOYSA-N
XLogP1.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-2-hydroxy-6,6-dimethylmorpholin-3-one?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-2-hydroxy-6,6-dimethylmorpholin-3-one (CID 68909019) is 4-[(4-fluorophenyl)methyl]-2-hydroxy-6,6-dimethylmorpholin-3-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-2-hydroxy-6,6-dimethylmorpholin-3-one?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-2-hydroxy-6,6-dimethylmorpholin-3-one is CC1(C)CN(Cc2ccc(F)cc2)C(=O)C(O)O1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-2-hydroxy-6,6-dimethylmorpholin-3-one?
The InChIKey is DNULDRFQKYTKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-13(2)8-15(11(16)12(17)18-13)7-9-3-5-10(14)6-4-9/h3-6,12,17H,7-8H2,1-2H3.
What are the key properties of 4-[(4-fluorophenyl)methyl]-2-hydroxy-6,6-dimethylmorpholin-3-one?
4-[(4-fluorophenyl)methyl]-2-hydroxy-6,6-dimethylmorpholin-3-one has a molecular weight of 253.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-2-hydroxy-6,6-dimethylmorpholin-3-one is sourced from PubChem (CID 68909019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).