4-[3-bromo-5-(trifluoromethyl)phenyl]morpholine-2,6-dione

C11H7BrF3NO3 — CID 65491246

IUPAC4-[3-bromo-5-(trifluoromethyl)phenyl]morpholine-2,6-dione
SMILESO=C1CN(c2cc(Br)cc(C(F)(F)F)c2)CC(=O)O1
InChIInChI=1S/C11H7BrF3NO3/c12-7-1-6(11(13,14)15)2-8(3-7)16-4-9(17)19-10(18)5-16/h1-3H,4-5H2
InChIKeyQKMVZJWUUCFGGD-UHFFFAOYSA-N
MW338.08 g/mol
LogP2.36
Rot. Bonds1

About 4-[3-bromo-5-(trifluoromethyl)phenyl]morpholine-2,6-dione

4-[3-bromo-5-(trifluoromethyl)phenyl]morpholine-2,6-dione (PubChem CID 65491246) has the molecular formula C11H7BrF3NO3 and a molecular weight of 338.08 g/mol. Its IUPAC name is 4-[3-bromo-5-(trifluoromethyl)phenyl]morpholine-2,6-dione.

Molecular Properties

Compound Name4-[3-bromo-5-(trifluoromethyl)phenyl]morpholine-2,6-dione
PubChem CID65491246
Molecular FormulaC11H7BrF3NO3
Molecular Weight338.08 g/mol
Exact Mass336.96
IUPAC Name4-[3-bromo-5-(trifluoromethyl)phenyl]morpholine-2,6-dione
SMILESO=C1CN(c2cc(Br)cc(C(F)(F)F)c2)CC(=O)O1
InChIInChI=1S/C11H7BrF3NO3/c12-7-1-6(11(13,14)15)2-8(3-7)16-4-9(17)19-10(18)5-16/h1-3H,4-5H2
InChIKeyQKMVZJWUUCFGGD-UHFFFAOYSA-N
XLogP2.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.08
LogP ≤ 52.36
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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Related Compounds

4-(3-bromo-5-methylphenyl)morpholine-2,6-dione
CID 107579563
1-[3-bromo-5-(trifluoromethyl)phenyl]piperidin-4-amine
CID 65492020
4-(4-bromo-2,6-difluorophenyl)morpholine-2,6-dione
CID 65499867
1-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 65490039
1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropylpiperidin-3-amine
CID 65489266
1-[3-bromo-5-(trifluoromethyl)phenyl]-3-(methylamino)pyrrolidin-2-one
CID 65489048
1-[3-bromo-5-(trifluoromethyl)phenyl]-4-ethynylpyrrolidin-2-one
CID 168502675
1-[3-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168719237
1-[3-bromo-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine
CID 65491427
1-[3-bromo-5-(trifluoromethyl)phenyl]pyrrole-3-carbaldehyde
CID 122476687
1-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidin-2-imine
CID 65490840
1-[3-bromo-5-(trifluoromethyl)phenyl]-3-methyl-1,2,4-triazole
CID 166607586

Frequently Asked Questions

What is the IUPAC name of 4-[3-bromo-5-(trifluoromethyl)phenyl]morpholine-2,6-dione?
The IUPAC name of 4-[3-bromo-5-(trifluoromethyl)phenyl]morpholine-2,6-dione (CID 65491246) is 4-[3-bromo-5-(trifluoromethyl)phenyl]morpholine-2,6-dione.
What is the SMILES notation for 4-[3-bromo-5-(trifluoromethyl)phenyl]morpholine-2,6-dione?
The canonical SMILES for 4-[3-bromo-5-(trifluoromethyl)phenyl]morpholine-2,6-dione is O=C1CN(c2cc(Br)cc(C(F)(F)F)c2)CC(=O)O1.
What is the InChIKey of 4-[3-bromo-5-(trifluoromethyl)phenyl]morpholine-2,6-dione?
The InChIKey is QKMVZJWUUCFGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3NO3/c12-7-1-6(11(13,14)15)2-8(3-7)16-4-9(17)19-10(18)5-16/h1-3H,4-5H2.
What are the key properties of 4-[3-bromo-5-(trifluoromethyl)phenyl]morpholine-2,6-dione?
4-[3-bromo-5-(trifluoromethyl)phenyl]morpholine-2,6-dione has a molecular weight of 338.08 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-bromo-5-(trifluoromethyl)phenyl]morpholine-2,6-dione is sourced from PubChem (CID 65491246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).