fluoro 6-(2,5-dioxopyrrol-1-yl)hexanoate

C10H12FNO4 — CID 175311182

IUPACfluoro 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESO=C(CCCCCN1C(=O)C=CC1=O)OF
InChIInChI=1S/C10H12FNO4/c11-16-10(15)4-2-1-3-7-12-8(13)5-6-9(12)14/h5-6H,1-4,7H2
InChIKeyRBZVKZQGFQMJDW-UHFFFAOYSA-N
MW229.21 g/mol
LogP0.90
Rot. Bonds6

About fluoro 6-(2,5-dioxopyrrol-1-yl)hexanoate

fluoro 6-(2,5-dioxopyrrol-1-yl)hexanoate (PubChem CID 175311182) has the molecular formula C10H12FNO4 and a molecular weight of 229.21 g/mol. Its IUPAC name is fluoro 6-(2,5-dioxopyrrol-1-yl)hexanoate.

Molecular Properties

Compound Namefluoro 6-(2,5-dioxopyrrol-1-yl)hexanoate
PubChem CID175311182
Molecular FormulaC10H12FNO4
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC Namefluoro 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESO=C(CCCCCN1C(=O)C=CC1=O)OF
InChIInChI=1S/C10H12FNO4/c11-16-10(15)4-2-1-3-7-12-8(13)5-6-9(12)14/h5-6H,1-4,7H2
InChIKeyRBZVKZQGFQMJDW-UHFFFAOYSA-N
XLogP0.90
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-octanoic acid
CID 92656
6-Maleimidohexanoic acid
CID 573683
AM-10
CID 4618600
7-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)heptanoic acid
CID 10513373
epsilon-N-citraconylaminocaproate
CID 191265
9-(2,5-dioxopyrrol-1-yl)nonanoic Acid
CID 10729548
10-(2,5-dioxopyrrol-1-yl)decanoic Acid
CID 10801786
6-(2,5-Dioxopyrrol-1-yl)-6-fluorohexanoic acid
CID 156695626
6-(2,5-Dioxopyrrol-1-yl)-2-fluorohexanoic acid
CID 175311184
N-Maleoyl-6-NH2hexanoic acid,ET ester
CID 23274571
(2,5-Dioxopyrrol-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 9796541
1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-2,5-dioxo-, methyl ester
CID 11195463

Frequently Asked Questions

What is the IUPAC name of fluoro 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The IUPAC name of fluoro 6-(2,5-dioxopyrrol-1-yl)hexanoate (CID 175311182) is fluoro 6-(2,5-dioxopyrrol-1-yl)hexanoate.
What is the SMILES notation for fluoro 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The canonical SMILES for fluoro 6-(2,5-dioxopyrrol-1-yl)hexanoate is O=C(CCCCCN1C(=O)C=CC1=O)OF.
What is the InChIKey of fluoro 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The InChIKey is RBZVKZQGFQMJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4/c11-16-10(15)4-2-1-3-7-12-8(13)5-6-9(12)14/h5-6H,1-4,7H2.
What are the key properties of fluoro 6-(2,5-dioxopyrrol-1-yl)hexanoate?
fluoro 6-(2,5-dioxopyrrol-1-yl)hexanoate has a molecular weight of 229.21 g/mol, XLogP of 0.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 6-(2,5-dioxopyrrol-1-yl)hexanoate is sourced from PubChem (CID 175311182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).