(3-ethenoxy-2-fluoro-3-oxoprop-1-enyl) cyclopropanecarboxylate

C9H9FO4 — CID 70516962

IUPAC(3-ethenoxy-2-fluoro-3-oxoprop-1-enyl) cyclopropanecarboxylate
SMILESC=COC(=O)C(F)=COC(=O)C1CC1
InChIInChI=1S/C9H9FO4/c1-2-13-9(12)7(10)5-14-8(11)6-3-4-6/h2,5-6H,1,3-4H2
InChIKeyHZKXNWYSOSZMIV-UHFFFAOYSA-N
MW200.16 g/mol
LogP1.44
Rot. Bonds4

About (3-ethenoxy-2-fluoro-3-oxoprop-1-enyl) cyclopropanecarboxylate

(3-ethenoxy-2-fluoro-3-oxoprop-1-enyl) cyclopropanecarboxylate (PubChem CID 70516962) has the molecular formula C9H9FO4 and a molecular weight of 200.16 g/mol. Its IUPAC name is (3-ethenoxy-2-fluoro-3-oxoprop-1-enyl) cyclopropanecarboxylate.

Molecular Properties

Compound Name(3-ethenoxy-2-fluoro-3-oxoprop-1-enyl) cyclopropanecarboxylate
PubChem CID70516962
Molecular FormulaC9H9FO4
Molecular Weight200.16 g/mol
Exact Mass200.05
IUPAC Name(3-ethenoxy-2-fluoro-3-oxoprop-1-enyl) cyclopropanecarboxylate
SMILESC=COC(=O)C(F)=COC(=O)C1CC1
InChIInChI=1S/C9H9FO4/c1-2-13-9(12)7(10)5-14-8(11)6-3-4-6/h2,5-6H,1,3-4H2
InChIKeyHZKXNWYSOSZMIV-UHFFFAOYSA-N
XLogP1.44
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-ethenoxy-2-fluoro-3-oxoprop-1-enyl) cyclopropanecarboxylate?
The IUPAC name of (3-ethenoxy-2-fluoro-3-oxoprop-1-enyl) cyclopropanecarboxylate (CID 70516962) is (3-ethenoxy-2-fluoro-3-oxoprop-1-enyl) cyclopropanecarboxylate.
What is the SMILES notation for (3-ethenoxy-2-fluoro-3-oxoprop-1-enyl) cyclopropanecarboxylate?
The canonical SMILES for (3-ethenoxy-2-fluoro-3-oxoprop-1-enyl) cyclopropanecarboxylate is C=COC(=O)C(F)=COC(=O)C1CC1.
What is the InChIKey of (3-ethenoxy-2-fluoro-3-oxoprop-1-enyl) cyclopropanecarboxylate?
The InChIKey is HZKXNWYSOSZMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO4/c1-2-13-9(12)7(10)5-14-8(11)6-3-4-6/h2,5-6H,1,3-4H2.
What are the key properties of (3-ethenoxy-2-fluoro-3-oxoprop-1-enyl) cyclopropanecarboxylate?
(3-ethenoxy-2-fluoro-3-oxoprop-1-enyl) cyclopropanecarboxylate has a molecular weight of 200.16 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethenoxy-2-fluoro-3-oxoprop-1-enyl) cyclopropanecarboxylate is sourced from PubChem (CID 70516962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).