4,4-difluoro-4-morpholin-4-yl-1-phenylbutane-1,3-dione

C14H15F2NO3 — CID 67647751

IUPAC4,4-difluoro-4-morpholin-4-yl-1-phenylbutane-1,3-dione
SMILESO=C(CC(=O)C(F)(F)N1CCOCC1)c1ccccc1
InChIInChI=1S/C14H15F2NO3/c15-14(16,17-6-8-20-9-7-17)13(19)10-12(18)11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyUVQOEFZPJFHWGC-UHFFFAOYSA-N
MW283.27 g/mol
LogP1.75
Rot. Bonds5

About 4,4-difluoro-4-morpholin-4-yl-1-phenylbutane-1,3-dione

4,4-difluoro-4-morpholin-4-yl-1-phenylbutane-1,3-dione (PubChem CID 67647751) has the molecular formula C14H15F2NO3 and a molecular weight of 283.27 g/mol. Its IUPAC name is 4,4-difluoro-4-morpholin-4-yl-1-phenylbutane-1,3-dione.

Molecular Properties

Compound Name4,4-difluoro-4-morpholin-4-yl-1-phenylbutane-1,3-dione
PubChem CID67647751
Molecular FormulaC14H15F2NO3
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name4,4-difluoro-4-morpholin-4-yl-1-phenylbutane-1,3-dione
SMILESO=C(CC(=O)C(F)(F)N1CCOCC1)c1ccccc1
InChIInChI=1S/C14H15F2NO3/c15-14(16,17-6-8-20-9-7-17)13(19)10-12(18)11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyUVQOEFZPJFHWGC-UHFFFAOYSA-N
XLogP1.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-4-morpholin-4-yl-1-phenylbutane-1,3-dione?
The IUPAC name of 4,4-difluoro-4-morpholin-4-yl-1-phenylbutane-1,3-dione (CID 67647751) is 4,4-difluoro-4-morpholin-4-yl-1-phenylbutane-1,3-dione.
What is the SMILES notation for 4,4-difluoro-4-morpholin-4-yl-1-phenylbutane-1,3-dione?
The canonical SMILES for 4,4-difluoro-4-morpholin-4-yl-1-phenylbutane-1,3-dione is O=C(CC(=O)C(F)(F)N1CCOCC1)c1ccccc1.
What is the InChIKey of 4,4-difluoro-4-morpholin-4-yl-1-phenylbutane-1,3-dione?
The InChIKey is UVQOEFZPJFHWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO3/c15-14(16,17-6-8-20-9-7-17)13(19)10-12(18)11-4-2-1-3-5-11/h1-5H,6-10H2.
What are the key properties of 4,4-difluoro-4-morpholin-4-yl-1-phenylbutane-1,3-dione?
4,4-difluoro-4-morpholin-4-yl-1-phenylbutane-1,3-dione has a molecular weight of 283.27 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-4-morpholin-4-yl-1-phenylbutane-1,3-dione is sourced from PubChem (CID 67647751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).