diethyl 3-fluorocyclopent-3-ene-1,1-dicarboxylate

C11H15FO4 — CID 177306739

IUPACdiethyl 3-fluorocyclopent-3-ene-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC=C(F)C1
InChIInChI=1S/C11H15FO4/c1-3-15-9(13)11(10(14)16-4-2)6-5-8(12)7-11/h5H,3-4,6-7H2,1-2H3
InChIKeyAZWZKDHECPCRLD-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.75
Rot. Bonds4

About diethyl 3-fluorocyclopent-3-ene-1,1-dicarboxylate

diethyl 3-fluorocyclopent-3-ene-1,1-dicarboxylate (PubChem CID 177306739) has the molecular formula C11H15FO4 and a molecular weight of 230.23 g/mol. Its IUPAC name is diethyl 3-fluorocyclopent-3-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-fluorocyclopent-3-ene-1,1-dicarboxylate
PubChem CID177306739
Molecular FormulaC11H15FO4
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Namediethyl 3-fluorocyclopent-3-ene-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC=C(F)C1
InChIInChI=1S/C11H15FO4/c1-3-15-9(13)11(10(14)16-4-2)6-5-8(12)7-11/h5H,3-4,6-7H2,1-2H3
InChIKeyAZWZKDHECPCRLD-UHFFFAOYSA-N
XLogP1.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,1-Diethyl cyclopent-3-ene-1,1-dicarboxylate
CID 10987569
1-(Ethoxycarbonyl)cyclopent-3-ene-1-carboxylic acid
CID 24729733
Ethyl 1-acetylcyclopent-3-ene-1-carboxylate
CID 268174
Dimethyl 3-cyclopentene-1,1-dicarboxylate
CID 699253
Diethyl 3-methylcyclopent-3-ene-1,1-dicarboxylate
CID 10977178
diethyl 2-[(E)-but-2-enyl]-2-but-2-ynylpropanedioate
CID 10934406
dimethyl 2,2-bis[(E)-but-2-enyl]propanedioate
CID 10999126
Diethyl 2-(3-methylbut-2-enyl)-2-prop-2-enylpropanedioate
CID 11391526
Diethyl 2,2-bis(3-methylbut-2-enyl)propanedioate
CID 11514888
(E)-Diethyl 2-(but-2-en-1-yl)-2-methylmalonate
CID 11770217
diethyl 2-allyl-2-((2E)-2-butenyl)malonate
CID 13290728
diethyl 2,2-bis[(E)-but-2-enyl]propanedioate
CID 13976356

Frequently Asked Questions

What is the IUPAC name of diethyl 3-fluorocyclopent-3-ene-1,1-dicarboxylate?
The IUPAC name of diethyl 3-fluorocyclopent-3-ene-1,1-dicarboxylate (CID 177306739) is diethyl 3-fluorocyclopent-3-ene-1,1-dicarboxylate.
What is the SMILES notation for diethyl 3-fluorocyclopent-3-ene-1,1-dicarboxylate?
The canonical SMILES for diethyl 3-fluorocyclopent-3-ene-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CC=C(F)C1.
What is the InChIKey of diethyl 3-fluorocyclopent-3-ene-1,1-dicarboxylate?
The InChIKey is AZWZKDHECPCRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO4/c1-3-15-9(13)11(10(14)16-4-2)6-5-8(12)7-11/h5H,3-4,6-7H2,1-2H3.
What are the key properties of diethyl 3-fluorocyclopent-3-ene-1,1-dicarboxylate?
diethyl 3-fluorocyclopent-3-ene-1,1-dicarboxylate has a molecular weight of 230.23 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-fluorocyclopent-3-ene-1,1-dicarboxylate is sourced from PubChem (CID 177306739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).