2-(2,6-dioxopiperidin-1-yl)-2-fluoroacetic acid

C7H8FNO4 — CID 81296581

IUPAC2-(2,6-dioxopiperidin-1-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)N1C(=O)CCCC1=O
InChIInChI=1S/C7H8FNO4/c8-6(7(12)13)9-4(10)2-1-3-5(9)11/h6H,1-3H2,(H,12,13)
InChIKeyPDVLGTSAOAYYSG-UHFFFAOYSA-N
MW189.14 g/mol
LogP-0.09
Rot. Bonds2

About 2-(2,6-dioxopiperidin-1-yl)-2-fluoroacetic acid

2-(2,6-dioxopiperidin-1-yl)-2-fluoroacetic acid (PubChem CID 81296581) has the molecular formula C7H8FNO4 and a molecular weight of 189.14 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-1-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-1-yl)-2-fluoroacetic acid
PubChem CID81296581
Molecular FormulaC7H8FNO4
Molecular Weight189.14 g/mol
Exact Mass189.04
IUPAC Name2-(2,6-dioxopiperidin-1-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)N1C(=O)CCCC1=O
InChIInChI=1S/C7H8FNO4/c8-6(7(12)13)9-4(10)2-1-3-5(9)11/h6H,1-3H2,(H,12,13)
InChIKeyPDVLGTSAOAYYSG-UHFFFAOYSA-N
XLogP-0.09
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-1-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(2,6-dioxopiperidin-1-yl)-2-fluoroacetic acid (CID 81296581) is 2-(2,6-dioxopiperidin-1-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(2,6-dioxopiperidin-1-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(2,6-dioxopiperidin-1-yl)-2-fluoroacetic acid is O=C(O)C(F)N1C(=O)CCCC1=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-1-yl)-2-fluoroacetic acid?
The InChIKey is PDVLGTSAOAYYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO4/c8-6(7(12)13)9-4(10)2-1-3-5(9)11/h6H,1-3H2,(H,12,13).
What are the key properties of 2-(2,6-dioxopiperidin-1-yl)-2-fluoroacetic acid?
2-(2,6-dioxopiperidin-1-yl)-2-fluoroacetic acid has a molecular weight of 189.14 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-1-yl)-2-fluoroacetic acid is sourced from PubChem (CID 81296581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).