diethyl (Z)-2-ethenyl-3-fluorobut-2-enedioate

C10H13FO4 — CID 10965919

IUPACdiethyl (Z)-2-ethenyl-3-fluorobut-2-enedioate
SMILESC=C/C(C(=O)OCC)=C(/F)C(=O)OCC
InChIInChI=1S/C10H13FO4/c1-4-7(9(12)14-5-2)8(11)10(13)15-6-3/h4H,1,5-6H2,2-3H3/b8-7-
InChIKeyZEMJMRDJNVDYDC-FPLPWBNLSA-N
MW216.21 g/mol
LogP1.52
Rot. Bonds5

About diethyl (Z)-2-ethenyl-3-fluorobut-2-enedioate

diethyl (Z)-2-ethenyl-3-fluorobut-2-enedioate (PubChem CID 10965919) has the molecular formula C10H13FO4 and a molecular weight of 216.21 g/mol. Its IUPAC name is diethyl (Z)-2-ethenyl-3-fluorobut-2-enedioate.

Molecular Properties

Compound Namediethyl (Z)-2-ethenyl-3-fluorobut-2-enedioate
PubChem CID10965919
Molecular FormulaC10H13FO4
Molecular Weight216.21 g/mol
Exact Mass216.08
IUPAC Namediethyl (Z)-2-ethenyl-3-fluorobut-2-enedioate
SMILESC=C/C(C(=O)OCC)=C(/F)C(=O)OCC
InChIInChI=1S/C10H13FO4/c1-4-7(9(12)14-5-2)8(11)10(13)15-6-3/h4H,1,5-6H2,2-3H3/b8-7-
InChIKeyZEMJMRDJNVDYDC-FPLPWBNLSA-N
XLogP1.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Pestalafuranone F
CID 139583515
Methyl 2-ethenyl-3-methylbut-2-enoate
CID 13759246
Ethyl (e)-3-methylpenta-2,4-dienoate
CID 12355162
diethyl (E)-2-ethenyl-3-fluorobut-2-enedioate
CID 11275956
(2E)-3-(Trifluoromethyl)-2,4-pentadienoic acid ethyl ester
CID 15864509
ethyl (2Z,4E)-6-acetyloxy-2-fluoro-4-methylhexa-2,4-dienoate
CID 13018677
Ethyl 6-acetyloxy-2-fluoro-4-methylhexa-2,4-dienoate
CID 54055160
Diethyl 4-(ethoxymethylidene)-3-fluoropent-2-enedioate
CID 54353561
ethyl (2E,4Z)-5-fluoro-2,4-dimethylhepta-2,4,6-trienoate
CID 87275390
diethyl (Z,4E)-4-(ethoxymethylidene)-3-fluoropent-2-enedioate
CID 88522908
ethyl (2E,4E)-5-fluoro-2-methylhepta-2,4,6-trienoate
CID 89054526
Methyl 2-(1-fluoroethenyl)but-2-enoate
CID 123287589

Frequently Asked Questions

What is the IUPAC name of diethyl (Z)-2-ethenyl-3-fluorobut-2-enedioate?
The IUPAC name of diethyl (Z)-2-ethenyl-3-fluorobut-2-enedioate (CID 10965919) is diethyl (Z)-2-ethenyl-3-fluorobut-2-enedioate.
What is the SMILES notation for diethyl (Z)-2-ethenyl-3-fluorobut-2-enedioate?
The canonical SMILES for diethyl (Z)-2-ethenyl-3-fluorobut-2-enedioate is C=C/C(C(=O)OCC)=C(/F)C(=O)OCC.
What is the InChIKey of diethyl (Z)-2-ethenyl-3-fluorobut-2-enedioate?
The InChIKey is ZEMJMRDJNVDYDC-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H13FO4/c1-4-7(9(12)14-5-2)8(11)10(13)15-6-3/h4H,1,5-6H2,2-3H3/b8-7-.
What are the key properties of diethyl (Z)-2-ethenyl-3-fluorobut-2-enedioate?
diethyl (Z)-2-ethenyl-3-fluorobut-2-enedioate has a molecular weight of 216.21 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (Z)-2-ethenyl-3-fluorobut-2-enedioate is sourced from PubChem (CID 10965919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).