4-(3-chloro-2-fluorophenyl)morpholine-2,6-dione

C10H7ClFNO3 — CID 63779224

IUPAC4-(3-chloro-2-fluorophenyl)morpholine-2,6-dione
SMILESO=C1CN(c2cccc(Cl)c2F)CC(=O)O1
InChIInChI=1S/C10H7ClFNO3/c11-6-2-1-3-7(10(6)12)13-4-8(14)16-9(15)5-13/h1-3H,4-5H2
InChIKeyBHONKNUUJFDIJX-UHFFFAOYSA-N
MW243.62 g/mol
LogP1.37
Rot. Bonds1

About 4-(3-chloro-2-fluorophenyl)morpholine-2,6-dione

4-(3-chloro-2-fluorophenyl)morpholine-2,6-dione (PubChem CID 63779224) has the molecular formula C10H7ClFNO3 and a molecular weight of 243.62 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)morpholine-2,6-dione.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)morpholine-2,6-dione
PubChem CID63779224
Molecular FormulaC10H7ClFNO3
Molecular Weight243.62 g/mol
Exact Mass243.01
IUPAC Name4-(3-chloro-2-fluorophenyl)morpholine-2,6-dione
SMILESO=C1CN(c2cccc(Cl)c2F)CC(=O)O1
InChIInChI=1S/C10H7ClFNO3/c11-6-2-1-3-7(10(6)12)13-4-8(14)16-9(15)5-13/h1-3H,4-5H2
InChIKeyBHONKNUUJFDIJX-UHFFFAOYSA-N
XLogP1.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.62
LogP ≤ 51.37
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-(3-chloro-2-fluorophenyl)morpholine-2,6-dione?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)morpholine-2,6-dione (CID 63779224) is 4-(3-chloro-2-fluorophenyl)morpholine-2,6-dione.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)morpholine-2,6-dione?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)morpholine-2,6-dione is O=C1CN(c2cccc(Cl)c2F)CC(=O)O1.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)morpholine-2,6-dione?
The InChIKey is BHONKNUUJFDIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO3/c11-6-2-1-3-7(10(6)12)13-4-8(14)16-9(15)5-13/h1-3H,4-5H2.
What are the key properties of 4-(3-chloro-2-fluorophenyl)morpholine-2,6-dione?
4-(3-chloro-2-fluorophenyl)morpholine-2,6-dione has a molecular weight of 243.62 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenyl)morpholine-2,6-dione is sourced from PubChem (CID 63779224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).