4-[4-chloro-2-(trifluoromethyl)phenyl]morpholine-2,6-dione

C11H7ClF3NO3 — CID 55235190

IUPAC4-[4-chloro-2-(trifluoromethyl)phenyl]morpholine-2,6-dione
SMILESO=C1CN(c2ccc(Cl)cc2C(F)(F)F)CC(=O)O1
InChIInChI=1S/C11H7ClF3NO3/c12-6-1-2-8(7(3-6)11(13,14)15)16-4-9(17)19-10(18)5-16/h1-3H,4-5H2
InChIKeyOQDAINPPCWLGCH-UHFFFAOYSA-N
MW293.63 g/mol
LogP2.25
Rot. Bonds1

About 4-[4-chloro-2-(trifluoromethyl)phenyl]morpholine-2,6-dione

4-[4-chloro-2-(trifluoromethyl)phenyl]morpholine-2,6-dione (PubChem CID 55235190) has the molecular formula C11H7ClF3NO3 and a molecular weight of 293.63 g/mol. Its IUPAC name is 4-[4-chloro-2-(trifluoromethyl)phenyl]morpholine-2,6-dione.

Molecular Properties

Compound Name4-[4-chloro-2-(trifluoromethyl)phenyl]morpholine-2,6-dione
PubChem CID55235190
Molecular FormulaC11H7ClF3NO3
Molecular Weight293.63 g/mol
Exact Mass293.01
IUPAC Name4-[4-chloro-2-(trifluoromethyl)phenyl]morpholine-2,6-dione
SMILESO=C1CN(c2ccc(Cl)cc2C(F)(F)F)CC(=O)O1
InChIInChI=1S/C11H7ClF3NO3/c12-6-1-2-8(7(3-6)11(13,14)15)16-4-9(17)19-10(18)5-16/h1-3H,4-5H2
InChIKeyOQDAINPPCWLGCH-UHFFFAOYSA-N
XLogP2.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.63
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-2-(trifluoromethyl)phenyl]morpholine-2,6-dione?
The IUPAC name of 4-[4-chloro-2-(trifluoromethyl)phenyl]morpholine-2,6-dione (CID 55235190) is 4-[4-chloro-2-(trifluoromethyl)phenyl]morpholine-2,6-dione.
What is the SMILES notation for 4-[4-chloro-2-(trifluoromethyl)phenyl]morpholine-2,6-dione?
The canonical SMILES for 4-[4-chloro-2-(trifluoromethyl)phenyl]morpholine-2,6-dione is O=C1CN(c2ccc(Cl)cc2C(F)(F)F)CC(=O)O1.
What is the InChIKey of 4-[4-chloro-2-(trifluoromethyl)phenyl]morpholine-2,6-dione?
The InChIKey is OQDAINPPCWLGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3NO3/c12-6-1-2-8(7(3-6)11(13,14)15)16-4-9(17)19-10(18)5-16/h1-3H,4-5H2.
What are the key properties of 4-[4-chloro-2-(trifluoromethyl)phenyl]morpholine-2,6-dione?
4-[4-chloro-2-(trifluoromethyl)phenyl]morpholine-2,6-dione has a molecular weight of 293.63 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-2-(trifluoromethyl)phenyl]morpholine-2,6-dione is sourced from PubChem (CID 55235190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).