ethyl 2-ethyl-2-fluorobut-3-enoate

C8H13FO2 — CID 71480715

IUPACethyl 2-ethyl-2-fluorobut-3-enoate
SMILESC=CC(F)(CC)C(=O)OCC
InChIInChI=1S/C8H13FO2/c1-4-8(9,5-2)7(10)11-6-3/h4H,1,5-6H2,2-3H3
InChIKeyLVJLYFDIGFBOPP-UHFFFAOYSA-N
MW160.19 g/mol
LogP1.85
Rot. Bonds4

About ethyl 2-ethyl-2-fluorobut-3-enoate

ethyl 2-ethyl-2-fluorobut-3-enoate (PubChem CID 71480715) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is ethyl 2-ethyl-2-fluorobut-3-enoate.

Molecular Properties

Compound Nameethyl 2-ethyl-2-fluorobut-3-enoate
PubChem CID71480715
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Nameethyl 2-ethyl-2-fluorobut-3-enoate
SMILESC=CC(F)(CC)C(=O)OCC
InChIInChI=1S/C8H13FO2/c1-4-8(9,5-2)7(10)11-6-3/h4H,1,5-6H2,2-3H3
InChIKeyLVJLYFDIGFBOPP-UHFFFAOYSA-N
XLogP1.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-2-fluorobut-3-enoate?
The IUPAC name of ethyl 2-ethyl-2-fluorobut-3-enoate (CID 71480715) is ethyl 2-ethyl-2-fluorobut-3-enoate.
What is the SMILES notation for ethyl 2-ethyl-2-fluorobut-3-enoate?
The canonical SMILES for ethyl 2-ethyl-2-fluorobut-3-enoate is C=CC(F)(CC)C(=O)OCC.
What is the InChIKey of ethyl 2-ethyl-2-fluorobut-3-enoate?
The InChIKey is LVJLYFDIGFBOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2/c1-4-8(9,5-2)7(10)11-6-3/h4H,1,5-6H2,2-3H3.
What are the key properties of ethyl 2-ethyl-2-fluorobut-3-enoate?
ethyl 2-ethyl-2-fluorobut-3-enoate has a molecular weight of 160.19 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-2-fluorobut-3-enoate is sourced from PubChem (CID 71480715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).