(2,5-dioxopyrrolidin-1-yl) (2-fluorophenyl)methyl carbonate

C12H10FNO5 — CID 15927739

IUPAC(2,5-dioxopyrrolidin-1-yl) (2-fluorophenyl)methyl carbonate
SMILESO=C(OCc1ccccc1F)ON1C(=O)CCC1=O
InChIInChI=1S/C12H10FNO5/c13-9-4-2-1-3-8(9)7-18-12(17)19-14-10(15)5-6-11(14)16/h1-4H,5-7H2
InChIKeyBBWHKHLMEUAKNR-UHFFFAOYSA-N
MW267.21 g/mol
LogP1.54
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) (2-fluorophenyl)methyl carbonate

(2,5-dioxopyrrolidin-1-yl) (2-fluorophenyl)methyl carbonate (PubChem CID 15927739) has the molecular formula C12H10FNO5 and a molecular weight of 267.21 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (2-fluorophenyl)methyl carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (2-fluorophenyl)methyl carbonate
PubChem CID15927739
Molecular FormulaC12H10FNO5
Molecular Weight267.21 g/mol
Exact Mass267.05
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (2-fluorophenyl)methyl carbonate
SMILESO=C(OCc1ccccc1F)ON1C(=O)CCC1=O
InChIInChI=1S/C12H10FNO5/c13-9-4-2-1-3-8(9)7-18-12(17)19-14-10(15)5-6-11(14)16/h1-4H,5-7H2
InChIKeyBBWHKHLMEUAKNR-UHFFFAOYSA-N
XLogP1.54
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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) (2-fluorophenyl)methyl carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2-fluorophenyl)methyl carbonate (CID 15927739) is (2,5-dioxopyrrolidin-1-yl) (2-fluorophenyl)methyl carbonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (2-fluorophenyl)methyl carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (2-fluorophenyl)methyl carbonate is O=C(OCc1ccccc1F)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (2-fluorophenyl)methyl carbonate?
The InChIKey is BBWHKHLMEUAKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO5/c13-9-4-2-1-3-8(9)7-18-12(17)19-14-10(15)5-6-11(14)16/h1-4H,5-7H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (2-fluorophenyl)methyl carbonate?
(2,5-dioxopyrrolidin-1-yl) (2-fluorophenyl)methyl carbonate has a molecular weight of 267.21 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) (2-fluorophenyl)methyl carbonate is sourced from PubChem (CID 15927739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).