bis(2,2,2-trifluoroethyl) 2-ethenylcyclopropane-1,1-dicarboxylate

C11H10F6O4 — CID 53493941

IUPACbis(2,2,2-trifluoroethyl) 2-ethenylcyclopropane-1,1-dicarboxylate
SMILESC=CC1CC1(C(=O)OCC(F)(F)F)C(=O)OCC(F)(F)F
InChIInChI=1S/C11H10F6O4/c1-2-6-3-9(6,7(18)20-4-10(12,13)14)8(19)21-5-11(15,16)17/h2,6H,1,3-5H2
InChIKeyUWRHTBKAHHCKKD-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.39
Rot. Bonds5

About bis(2,2,2-trifluoroethyl) 2-ethenylcyclopropane-1,1-dicarboxylate

bis(2,2,2-trifluoroethyl) 2-ethenylcyclopropane-1,1-dicarboxylate (PubChem CID 53493941) has the molecular formula C11H10F6O4 and a molecular weight of 320.19 g/mol. Its IUPAC name is bis(2,2,2-trifluoroethyl) 2-ethenylcyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namebis(2,2,2-trifluoroethyl) 2-ethenylcyclopropane-1,1-dicarboxylate
PubChem CID53493941
Molecular FormulaC11H10F6O4
Molecular Weight320.19 g/mol
Exact Mass320.05
IUPAC Namebis(2,2,2-trifluoroethyl) 2-ethenylcyclopropane-1,1-dicarboxylate
SMILESC=CC1CC1(C(=O)OCC(F)(F)F)C(=O)OCC(F)(F)F
InChIInChI=1S/C11H10F6O4/c1-2-6-3-9(6,7(18)20-4-10(12,13)14)8(19)21-5-11(15,16)17/h2,6H,1,3-5H2
InChIKeyUWRHTBKAHHCKKD-UHFFFAOYSA-N
XLogP2.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.39
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 bis(2,2,2-trifluoroethyl) 2-ethenylcyclopropane-1,1-dicarboxylate?
The IUPAC name of bis(2,2,2-trifluoroethyl) 2-ethenylcyclopropane-1,1-dicarboxylate (CID 53493941) is bis(2,2,2-trifluoroethyl) 2-ethenylcyclopropane-1,1-dicarboxylate.
What is the SMILES notation for bis(2,2,2-trifluoroethyl) 2-ethenylcyclopropane-1,1-dicarboxylate?
The canonical SMILES for bis(2,2,2-trifluoroethyl) 2-ethenylcyclopropane-1,1-dicarboxylate is C=CC1CC1(C(=O)OCC(F)(F)F)C(=O)OCC(F)(F)F.
What is the InChIKey of bis(2,2,2-trifluoroethyl) 2-ethenylcyclopropane-1,1-dicarboxylate?
The InChIKey is UWRHTBKAHHCKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6O4/c1-2-6-3-9(6,7(18)20-4-10(12,13)14)8(19)21-5-11(15,16)17/h2,6H,1,3-5H2.
What are the key properties of bis(2,2,2-trifluoroethyl) 2-ethenylcyclopropane-1,1-dicarboxylate?
bis(2,2,2-trifluoroethyl) 2-ethenylcyclopropane-1,1-dicarboxylate has a molecular weight of 320.19 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,2-trifluoroethyl) 2-ethenylcyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 53493941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).