(2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzoate

C11H7F2NO4 — CID 98464286

IUPAC(2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzoate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc(F)cc1F
InChIInChI=1S/C11H7F2NO4/c12-6-1-2-7(8(13)5-6)11(17)18-14-9(15)3-4-10(14)16/h1-2,5H,3-4H2
InChIKeyKSODCAWWRQVXNB-UHFFFAOYSA-N
MW255.18 g/mol
LogP1.19
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzoate

(2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzoate (PubChem CID 98464286) has the molecular formula C11H7F2NO4 and a molecular weight of 255.18 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzoate
PubChem CID98464286
Molecular FormulaC11H7F2NO4
Molecular Weight255.18 g/mol
Exact Mass255.03
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzoate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc(F)cc1F
InChIInChI=1S/C11H7F2NO4/c12-6-1-2-7(8(13)5-6)11(17)18-14-9(15)3-4-10(14)16/h1-2,5H,3-4H2
InChIKeyKSODCAWWRQVXNB-UHFFFAOYSA-N
XLogP1.19
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.18
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

carbamoyl 2,4-difluorobenzoate
CID 21202786
(2,5-dioxopyrrolidin-1-yl) 3-chloro-5-fluorobenzoate
CID 155923584
(2,5-dioxopyrrolidin-1-yl) 2,6-dimethylpyridine-3-carboxylate
CID 11334130
(2,5-dioxopyrrolidin-1-yl) 3-fluoropyridine-2-carboxylate
CID 154824707
2-methoxyethyl 2,4-difluorobenzoate
CID 78830751
2,2,2-trifluoroethyl 2,4-difluorobenzoate
CID 22149746
2,4-difluorobenzoyl bromide
CID 87349807
methyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-2-fluorobenzoate
CID 113254616
(2,5-dioxopyrrolidin-1-yl) 4-(124I)iodobenzoate
CID 11110628
2,4-difluorobenzamide;dihydrochloride
CID 22032026
(2,5-dioxopyrrolidin-1-yl) N-(2-fluorophenyl)carbamate
CID 71383197
[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]astatine
CID 15341491

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzoate (CID 98464286) is (2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzoate is O=C(ON1C(=O)CCC1=O)c1ccc(F)cc1F.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzoate?
The InChIKey is KSODCAWWRQVXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO4/c12-6-1-2-7(8(13)5-6)11(17)18-14-9(15)3-4-10(14)16/h1-2,5H,3-4H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzoate?
(2,5-dioxopyrrolidin-1-yl) 2,4-difluorobenzoate has a molecular weight of 255.18 g/mol, XLogP of 1.19, 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) 2,4-difluorobenzoate is sourced from PubChem (CID 98464286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).