4-(4-bromo-2,6-difluorophenyl)morpholine-2,6-dione

C10H6BrF2NO3 — CID 65499867

IUPAC4-(4-bromo-2,6-difluorophenyl)morpholine-2,6-dione
SMILESO=C1CN(c2c(F)cc(Br)cc2F)CC(=O)O1
InChIInChI=1S/C10H6BrF2NO3/c11-5-1-6(12)10(7(13)2-5)14-3-8(15)17-9(16)4-14/h1-2H,3-4H2
InChIKeyLVBONDVEZRVZAN-UHFFFAOYSA-N
MW306.06 g/mol
LogP1.62
Rot. Bonds1

About 4-(4-bromo-2,6-difluorophenyl)morpholine-2,6-dione

4-(4-bromo-2,6-difluorophenyl)morpholine-2,6-dione (PubChem CID 65499867) has the molecular formula C10H6BrF2NO3 and a molecular weight of 306.06 g/mol. Its IUPAC name is 4-(4-bromo-2,6-difluorophenyl)morpholine-2,6-dione.

Molecular Properties

Compound Name4-(4-bromo-2,6-difluorophenyl)morpholine-2,6-dione
PubChem CID65499867
Molecular FormulaC10H6BrF2NO3
Molecular Weight306.06 g/mol
Exact Mass304.95
IUPAC Name4-(4-bromo-2,6-difluorophenyl)morpholine-2,6-dione
SMILESO=C1CN(c2c(F)cc(Br)cc2F)CC(=O)O1
InChIInChI=1S/C10H6BrF2NO3/c11-5-1-6(12)10(7(13)2-5)14-3-8(15)17-9(16)4-14/h1-2H,3-4H2
InChIKeyLVBONDVEZRVZAN-UHFFFAOYSA-N
XLogP1.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.06
LogP ≤ 51.62
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-bromo-2,6-difluorophenyl)morpholine-2,6-dione?
The IUPAC name of 4-(4-bromo-2,6-difluorophenyl)morpholine-2,6-dione (CID 65499867) is 4-(4-bromo-2,6-difluorophenyl)morpholine-2,6-dione.
What is the SMILES notation for 4-(4-bromo-2,6-difluorophenyl)morpholine-2,6-dione?
The canonical SMILES for 4-(4-bromo-2,6-difluorophenyl)morpholine-2,6-dione is O=C1CN(c2c(F)cc(Br)cc2F)CC(=O)O1.
What is the InChIKey of 4-(4-bromo-2,6-difluorophenyl)morpholine-2,6-dione?
The InChIKey is LVBONDVEZRVZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF2NO3/c11-5-1-6(12)10(7(13)2-5)14-3-8(15)17-9(16)4-14/h1-2H,3-4H2.
What are the key properties of 4-(4-bromo-2,6-difluorophenyl)morpholine-2,6-dione?
4-(4-bromo-2,6-difluorophenyl)morpholine-2,6-dione has a molecular weight of 306.06 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2,6-difluorophenyl)morpholine-2,6-dione is sourced from PubChem (CID 65499867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).