ethyl 2-fluoro-2-pent-4-enoxyacetate

C9H15FO3 — CID 79356865

IUPACethyl 2-fluoro-2-pent-4-enoxyacetate
SMILESC=CCCCOC(F)C(=O)OCC
InChIInChI=1S/C9H15FO3/c1-3-5-6-7-13-8(10)9(11)12-4-2/h3,8H,1,4-7H2,2H3
InChIKeyKXRFTXFZNIHAOF-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.83
Rot. Bonds7

About ethyl 2-fluoro-2-pent-4-enoxyacetate

ethyl 2-fluoro-2-pent-4-enoxyacetate (PubChem CID 79356865) has the molecular formula C9H15FO3 and a molecular weight of 190.21 g/mol. Its IUPAC name is ethyl 2-fluoro-2-pent-4-enoxyacetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-pent-4-enoxyacetate
PubChem CID79356865
Molecular FormulaC9H15FO3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Nameethyl 2-fluoro-2-pent-4-enoxyacetate
SMILESC=CCCCOC(F)C(=O)OCC
InChIInChI=1S/C9H15FO3/c1-3-5-6-7-13-8(10)9(11)12-4-2/h3,8H,1,4-7H2,2H3
InChIKeyKXRFTXFZNIHAOF-UHFFFAOYSA-N
XLogP1.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-pent-4-enoxyacetate?
The IUPAC name of ethyl 2-fluoro-2-pent-4-enoxyacetate (CID 79356865) is ethyl 2-fluoro-2-pent-4-enoxyacetate.
What is the SMILES notation for ethyl 2-fluoro-2-pent-4-enoxyacetate?
The canonical SMILES for ethyl 2-fluoro-2-pent-4-enoxyacetate is C=CCCCOC(F)C(=O)OCC.
What is the InChIKey of ethyl 2-fluoro-2-pent-4-enoxyacetate?
The InChIKey is KXRFTXFZNIHAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO3/c1-3-5-6-7-13-8(10)9(11)12-4-2/h3,8H,1,4-7H2,2H3.
What are the key properties of ethyl 2-fluoro-2-pent-4-enoxyacetate?
ethyl 2-fluoro-2-pent-4-enoxyacetate has a molecular weight of 190.21 g/mol, XLogP of 1.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-pent-4-enoxyacetate is sourced from PubChem (CID 79356865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).