ethyl 1-fluoro-2-oxocyclopentane-1-carboxylate

C8H11FO3 — CID 10986766

IUPACethyl 1-fluoro-2-oxocyclopentane-1-carboxylate
SMILESCCOC(=O)C1(F)CCCC1=O
InChIInChI=1S/C8H11FO3/c1-2-12-7(11)8(9)5-3-4-6(8)10/h2-5H2,1H3
InChIKeyPTZFYJUFLYSVIV-UHFFFAOYSA-N
MW174.17 g/mol
LogP1.01
Rot. Bonds2

About ethyl 1-fluoro-2-oxocyclopentane-1-carboxylate

ethyl 1-fluoro-2-oxocyclopentane-1-carboxylate (PubChem CID 10986766) has the molecular formula C8H11FO3 and a molecular weight of 174.17 g/mol. Its IUPAC name is ethyl 1-fluoro-2-oxocyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-fluoro-2-oxocyclopentane-1-carboxylate
PubChem CID10986766
Molecular FormulaC8H11FO3
Molecular Weight174.17 g/mol
Exact Mass174.07
IUPAC Nameethyl 1-fluoro-2-oxocyclopentane-1-carboxylate
SMILESCCOC(=O)C1(F)CCCC1=O
InChIInChI=1S/C8H11FO3/c1-2-12-7(11)8(9)5-3-4-6(8)10/h2-5H2,1H3
InChIKeyPTZFYJUFLYSVIV-UHFFFAOYSA-N
XLogP1.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.17
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-fluoro-2-oxocyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-fluoro-2-oxocyclopentane-1-carboxylate (CID 10986766) is ethyl 1-fluoro-2-oxocyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-fluoro-2-oxocyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-fluoro-2-oxocyclopentane-1-carboxylate is CCOC(=O)C1(F)CCCC1=O.
What is the InChIKey of ethyl 1-fluoro-2-oxocyclopentane-1-carboxylate?
The InChIKey is PTZFYJUFLYSVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO3/c1-2-12-7(11)8(9)5-3-4-6(8)10/h2-5H2,1H3.
What are the key properties of ethyl 1-fluoro-2-oxocyclopentane-1-carboxylate?
ethyl 1-fluoro-2-oxocyclopentane-1-carboxylate has a molecular weight of 174.17 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-fluoro-2-oxocyclopentane-1-carboxylate is sourced from PubChem (CID 10986766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).