(2,5-dioxopyrrolidin-1-yl) [fluoro(phenyl)methyl] carbonate

C12H10FNO5 — CID 22135555

IUPAC(2,5-dioxopyrrolidin-1-yl) [fluoro(phenyl)methyl] carbonate
SMILESO=C(OC(F)c1ccccc1)ON1C(=O)CCC1=O
InChIInChI=1S/C12H10FNO5/c13-11(8-4-2-1-3-5-8)18-12(17)19-14-9(15)6-7-10(14)16/h1-5,11H,6-7H2
InChIKeyFKOMSVFQSCBVGJ-UHFFFAOYSA-N
MW267.21 g/mol
LogP1.87
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) [fluoro(phenyl)methyl] carbonate

(2,5-dioxopyrrolidin-1-yl) [fluoro(phenyl)methyl] carbonate (PubChem CID 22135555) has the molecular formula C12H10FNO5 and a molecular weight of 267.21 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) [fluoro(phenyl)methyl] carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) [fluoro(phenyl)methyl] carbonate
PubChem CID22135555
Molecular FormulaC12H10FNO5
Molecular Weight267.21 g/mol
Exact Mass267.05
IUPAC Name(2,5-dioxopyrrolidin-1-yl) [fluoro(phenyl)methyl] carbonate
SMILESO=C(OC(F)c1ccccc1)ON1C(=O)CCC1=O
InChIInChI=1S/C12H10FNO5/c13-11(8-4-2-1-3-5-8)18-12(17)19-14-9(15)6-7-10(14)16/h1-5,11H,6-7H2
InChIKeyFKOMSVFQSCBVGJ-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Benzyl succinimido carbonate
CID 83172
N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl) benzyloxycarbonyloxy]succinimide
CID 11083007
N-(4-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)benzyloxycarbonyloxy) succinimide
CID 10995553
N-(4-(3,3,4,4,5,5,6,6,6-Nonafluorohexyl)benzyloxycarbonyloxy)succinimide
CID 16211001
N-(2-Chlorobenzyloxycarbonyloxy)succinimide
CID 580665
Benzyl 2-oxopyrrolidine-1-carboxylate
CID 10932936
N-(2-Bromobenzyloxycarbonyloxy)succinimide
CID 598169
1-[(4-Fluorobenzyl)oxy]pyrrolidine-2,5-dione
CID 2990101
O1-benzyl O18-(2,5-dioxopyrrolidin-1-yl) octadecanedioate
CID 58419211
2,5-Dioxopyrrolidin-1-yl 3-(benzyloxy)propanoate
CID 118999798
Benzyl 2,5-dioxopyrrolidine-1-carboxylate
CID 3826287
1-(Benzyloxy)pyrrolidine-2,5-dione
CID 12390717

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) [fluoro(phenyl)methyl] carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) [fluoro(phenyl)methyl] carbonate (CID 22135555) is (2,5-dioxopyrrolidin-1-yl) [fluoro(phenyl)methyl] carbonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) [fluoro(phenyl)methyl] carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) [fluoro(phenyl)methyl] carbonate is O=C(OC(F)c1ccccc1)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) [fluoro(phenyl)methyl] carbonate?
The InChIKey is FKOMSVFQSCBVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO5/c13-11(8-4-2-1-3-5-8)18-12(17)19-14-9(15)6-7-10(14)16/h1-5,11H,6-7H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) [fluoro(phenyl)methyl] carbonate?
(2,5-dioxopyrrolidin-1-yl) [fluoro(phenyl)methyl] carbonate has a molecular weight of 267.21 g/mol, XLogP of 1.87, 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) [fluoro(phenyl)methyl] carbonate is sourced from PubChem (CID 22135555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).