4-[(1S)-1-(4-fluorophenyl)ethyl]-6,6-dimethylmorpholine-2,3-dione

C14H16FNO3 — CID 68909615

IUPAC4-[(1S)-1-(4-fluorophenyl)ethyl]-6,6-dimethylmorpholine-2,3-dione
SMILESC[C@@H](c1ccc(F)cc1)N1CC(C)(C)OC(=O)C1=O
InChIInChI=1S/C14H16FNO3/c1-9(10-4-6-11(15)7-5-10)16-8-14(2,3)19-13(18)12(16)17/h4-7,9H,8H2,1-3H3/t9-/m0/s1
InChIKeyFDGVCXJITCEAIP-VIFPVBQESA-N
MW265.28 g/mol
LogP2.05
Rot. Bonds2

About 4-[(1S)-1-(4-fluorophenyl)ethyl]-6,6-dimethylmorpholine-2,3-dione

4-[(1S)-1-(4-fluorophenyl)ethyl]-6,6-dimethylmorpholine-2,3-dione (PubChem CID 68909615) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 4-[(1S)-1-(4-fluorophenyl)ethyl]-6,6-dimethylmorpholine-2,3-dione.

Molecular Properties

Compound Name4-[(1S)-1-(4-fluorophenyl)ethyl]-6,6-dimethylmorpholine-2,3-dione
PubChem CID68909615
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name4-[(1S)-1-(4-fluorophenyl)ethyl]-6,6-dimethylmorpholine-2,3-dione
SMILESC[C@@H](c1ccc(F)cc1)N1CC(C)(C)OC(=O)C1=O
InChIInChI=1S/C14H16FNO3/c1-9(10-4-6-11(15)7-5-10)16-8-14(2,3)19-13(18)12(16)17/h4-7,9H,8H2,1-3H3/t9-/m0/s1
InChIKeyFDGVCXJITCEAIP-VIFPVBQESA-N
XLogP2.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-(4-fluorophenyl)ethyl]-6,6-dimethylmorpholine-2,3-dione?
The IUPAC name of 4-[(1S)-1-(4-fluorophenyl)ethyl]-6,6-dimethylmorpholine-2,3-dione (CID 68909615) is 4-[(1S)-1-(4-fluorophenyl)ethyl]-6,6-dimethylmorpholine-2,3-dione.
What is the SMILES notation for 4-[(1S)-1-(4-fluorophenyl)ethyl]-6,6-dimethylmorpholine-2,3-dione?
The canonical SMILES for 4-[(1S)-1-(4-fluorophenyl)ethyl]-6,6-dimethylmorpholine-2,3-dione is C[C@@H](c1ccc(F)cc1)N1CC(C)(C)OC(=O)C1=O.
What is the InChIKey of 4-[(1S)-1-(4-fluorophenyl)ethyl]-6,6-dimethylmorpholine-2,3-dione?
The InChIKey is FDGVCXJITCEAIP-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16FNO3/c1-9(10-4-6-11(15)7-5-10)16-8-14(2,3)19-13(18)12(16)17/h4-7,9H,8H2,1-3H3/t9-/m0/s1.
What are the key properties of 4-[(1S)-1-(4-fluorophenyl)ethyl]-6,6-dimethylmorpholine-2,3-dione?
4-[(1S)-1-(4-fluorophenyl)ethyl]-6,6-dimethylmorpholine-2,3-dione has a molecular weight of 265.28 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-(4-fluorophenyl)ethyl]-6,6-dimethylmorpholine-2,3-dione is sourced from PubChem (CID 68909615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).