(1,3-dioxoisoindol-2-yl) 3-fluorocyclobutane-1-carboxylate

C13H10FNO4 — CID 162341549

IUPAC(1,3-dioxoisoindol-2-yl) 3-fluorocyclobutane-1-carboxylate
SMILESO=C(ON1C(=O)c2ccccc2C1=O)C1CC(F)C1
InChIInChI=1S/C13H10FNO4/c14-8-5-7(6-8)13(18)19-15-11(16)9-3-1-2-4-10(9)12(15)17/h1-4,7-8H,5-6H2
InChIKeyKJMNVCLVWHFJFY-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.49
Rot. Bonds2

About (1,3-dioxoisoindol-2-yl) 3-fluorocyclobutane-1-carboxylate

(1,3-dioxoisoindol-2-yl) 3-fluorocyclobutane-1-carboxylate (PubChem CID 162341549) has the molecular formula C13H10FNO4 and a molecular weight of 263.22 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl) 3-fluorocyclobutane-1-carboxylate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl) 3-fluorocyclobutane-1-carboxylate
PubChem CID162341549
Molecular FormulaC13H10FNO4
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name(1,3-dioxoisoindol-2-yl) 3-fluorocyclobutane-1-carboxylate
SMILESO=C(ON1C(=O)c2ccccc2C1=O)C1CC(F)C1
InChIInChI=1S/C13H10FNO4/c14-8-5-7(6-8)13(18)19-15-11(16)9-3-1-2-4-10(9)12(15)17/h1-4,7-8H,5-6H2
InChIKeyKJMNVCLVWHFJFY-UHFFFAOYSA-N
XLogP1.49
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.49
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

(1,3-dioxoisoindol-2-yl) 4-fluorocyclohexane-1-carboxylate
CID 162341521
(1,3-dioxoisoindol-2-yl) 2,6-dimethyloxane-4-carboxylate
CID 171104193
(1,3-dioxoisoindol-2-yl) 3,3-difluorocyclobutane-1-carboxylate;ethane
CID 177047488
3-O-(1,3-dioxoisoindol-2-yl) 1-O-methyl cyclopentane-1,3-dicarboxylate
CID 162341751
(1,3-dioxoisoindol-2-yl) adamantane-2-carboxylate
CID 148996664
bis(1,3-dioxoisoindol-2-yl) carbonate
CID 12876455
bis(1,3-dioxoisoindol-2-yl) oxalate
CID 13423760
2-O-(1,3-dioxoisoindol-2-yl) 5-O-methyl (2S,5R)-oxolane-2,5-dicarboxylate
CID 178202360
(1,3-dioxoisoindol-2-yl) 3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxylate
CID 154727003
(1,3-dioxoisoindol-2-yl) 1-methylcyclopentane-1-carboxylate
CID 142436740
cyclohexanamine;(1,3-dioxoisoindol-2-yl) cyclohexanecarboxylate;3-phenyl-3-(trifluoromethyl)diazirine
CID 167579939
(1,3-dioxoisoindol-2-yl) 2-oxabicyclo[2.1.1]hexane-4-carboxylate
CID 170730481

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl) 3-fluorocyclobutane-1-carboxylate?
The IUPAC name of (1,3-dioxoisoindol-2-yl) 3-fluorocyclobutane-1-carboxylate (CID 162341549) is (1,3-dioxoisoindol-2-yl) 3-fluorocyclobutane-1-carboxylate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl) 3-fluorocyclobutane-1-carboxylate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl) 3-fluorocyclobutane-1-carboxylate is O=C(ON1C(=O)c2ccccc2C1=O)C1CC(F)C1.
What is the InChIKey of (1,3-dioxoisoindol-2-yl) 3-fluorocyclobutane-1-carboxylate?
The InChIKey is KJMNVCLVWHFJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO4/c14-8-5-7(6-8)13(18)19-15-11(16)9-3-1-2-4-10(9)12(15)17/h1-4,7-8H,5-6H2.
What are the key properties of (1,3-dioxoisoindol-2-yl) 3-fluorocyclobutane-1-carboxylate?
(1,3-dioxoisoindol-2-yl) 3-fluorocyclobutane-1-carboxylate has a molecular weight of 263.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl) 3-fluorocyclobutane-1-carboxylate is sourced from PubChem (CID 162341549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).