diethyl 2-fluoro-2-prop-2-enylpropanedioate

C10H15FO4 — CID 14605473

IUPACdiethyl 2-fluoro-2-prop-2-enylpropanedioate
SMILESC=CCC(F)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C10H15FO4/c1-4-7-10(11,8(12)14-5-2)9(13)15-6-3/h4H,1,5-7H2,2-3H3
InChIKeyLXHWOILYERECBN-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.40
Rot. Bonds6

About diethyl 2-fluoro-2-prop-2-enylpropanedioate

diethyl 2-fluoro-2-prop-2-enylpropanedioate (PubChem CID 14605473) has the molecular formula C10H15FO4 and a molecular weight of 218.22 g/mol. Its IUPAC name is diethyl 2-fluoro-2-prop-2-enylpropanedioate.

Molecular Properties

Compound Namediethyl 2-fluoro-2-prop-2-enylpropanedioate
PubChem CID14605473
Molecular FormulaC10H15FO4
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Namediethyl 2-fluoro-2-prop-2-enylpropanedioate
SMILESC=CCC(F)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C10H15FO4/c1-4-7-10(11,8(12)14-5-2)9(13)15-6-3/h4H,1,5-7H2,2-3H3
InChIKeyLXHWOILYERECBN-UHFFFAOYSA-N
XLogP1.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-fluoro-2-prop-2-enylpropanedioate?
The IUPAC name of diethyl 2-fluoro-2-prop-2-enylpropanedioate (CID 14605473) is diethyl 2-fluoro-2-prop-2-enylpropanedioate.
What is the SMILES notation for diethyl 2-fluoro-2-prop-2-enylpropanedioate?
The canonical SMILES for diethyl 2-fluoro-2-prop-2-enylpropanedioate is C=CCC(F)(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-fluoro-2-prop-2-enylpropanedioate?
The InChIKey is LXHWOILYERECBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO4/c1-4-7-10(11,8(12)14-5-2)9(13)15-6-3/h4H,1,5-7H2,2-3H3.
What are the key properties of diethyl 2-fluoro-2-prop-2-enylpropanedioate?
diethyl 2-fluoro-2-prop-2-enylpropanedioate has a molecular weight of 218.22 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-fluoro-2-prop-2-enylpropanedioate is sourced from PubChem (CID 14605473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).