(2,5-dioxopyrrolidin-1-yl) 3-chloro-2-fluorobenzoate

C11H7ClFNO4 — CID 175198115

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-chloro-2-fluorobenzoate
SMILESO=C(ON1C(=O)CCC1=O)c1cccc(Cl)c1F
InChIInChI=1S/C11H7ClFNO4/c12-7-3-1-2-6(10(7)13)11(17)18-14-8(15)4-5-9(14)16/h1-3H,4-5H2
InChIKeySYSGCJUSFCOXMA-UHFFFAOYSA-N
MW271.63 g/mol
LogP1.70
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) 3-chloro-2-fluorobenzoate

(2,5-dioxopyrrolidin-1-yl) 3-chloro-2-fluorobenzoate (PubChem CID 175198115) has the molecular formula C11H7ClFNO4 and a molecular weight of 271.63 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-chloro-2-fluorobenzoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-chloro-2-fluorobenzoate
PubChem CID175198115
Molecular FormulaC11H7ClFNO4
Molecular Weight271.63 g/mol
Exact Mass271.00
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-chloro-2-fluorobenzoate
SMILESO=C(ON1C(=O)CCC1=O)c1cccc(Cl)c1F
InChIInChI=1S/C11H7ClFNO4/c12-7-3-1-2-6(10(7)13)11(17)18-14-8(15)4-5-9(14)16/h1-3H,4-5H2
InChIKeySYSGCJUSFCOXMA-UHFFFAOYSA-N
XLogP1.70
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.63
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-chloro-2-fluorobenzoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-chloro-2-fluorobenzoate (CID 175198115) is (2,5-dioxopyrrolidin-1-yl) 3-chloro-2-fluorobenzoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-chloro-2-fluorobenzoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-chloro-2-fluorobenzoate is O=C(ON1C(=O)CCC1=O)c1cccc(Cl)c1F.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-chloro-2-fluorobenzoate?
The InChIKey is SYSGCJUSFCOXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO4/c12-7-3-1-2-6(10(7)13)11(17)18-14-8(15)4-5-9(14)16/h1-3H,4-5H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-chloro-2-fluorobenzoate?
(2,5-dioxopyrrolidin-1-yl) 3-chloro-2-fluorobenzoate has a molecular weight of 271.63 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-chloro-2-fluorobenzoate is sourced from PubChem (CID 175198115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).