cyclopent-2-en-1-yl 3,3,3-trifluoro-2-methoxypropanoate

C9H11F3O3 — CID 54349032

IUPACcyclopent-2-en-1-yl 3,3,3-trifluoro-2-methoxypropanoate
SMILESCOC(C(=O)OC1C=CCC1)C(F)(F)F
InChIInChI=1S/C9H11F3O3/c1-14-7(9(10,11)12)8(13)15-6-4-2-3-5-6/h2,4,6-7H,3,5H2,1H3
InChIKeyUEJQXSOISQNOBF-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.83
Rot. Bonds3

About cyclopent-2-en-1-yl 3,3,3-trifluoro-2-methoxypropanoate

cyclopent-2-en-1-yl 3,3,3-trifluoro-2-methoxypropanoate (PubChem CID 54349032) has the molecular formula C9H11F3O3 and a molecular weight of 224.18 g/mol. Its IUPAC name is cyclopent-2-en-1-yl 3,3,3-trifluoro-2-methoxypropanoate.

Molecular Properties

Compound Namecyclopent-2-en-1-yl 3,3,3-trifluoro-2-methoxypropanoate
PubChem CID54349032
Molecular FormulaC9H11F3O3
Molecular Weight224.18 g/mol
Exact Mass224.07
IUPAC Namecyclopent-2-en-1-yl 3,3,3-trifluoro-2-methoxypropanoate
SMILESCOC(C(=O)OC1C=CCC1)C(F)(F)F
InChIInChI=1S/C9H11F3O3/c1-14-7(9(10,11)12)8(13)15-6-4-2-3-5-6/h2,4,6-7H,3,5H2,1H3
InChIKeyUEJQXSOISQNOBF-UHFFFAOYSA-N
XLogP1.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 cyclopent-2-en-1-yl 3,3,3-trifluoro-2-methoxypropanoate?
The IUPAC name of cyclopent-2-en-1-yl 3,3,3-trifluoro-2-methoxypropanoate (CID 54349032) is cyclopent-2-en-1-yl 3,3,3-trifluoro-2-methoxypropanoate.
What is the SMILES notation for cyclopent-2-en-1-yl 3,3,3-trifluoro-2-methoxypropanoate?
The canonical SMILES for cyclopent-2-en-1-yl 3,3,3-trifluoro-2-methoxypropanoate is COC(C(=O)OC1C=CCC1)C(F)(F)F.
What is the InChIKey of cyclopent-2-en-1-yl 3,3,3-trifluoro-2-methoxypropanoate?
The InChIKey is UEJQXSOISQNOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O3/c1-14-7(9(10,11)12)8(13)15-6-4-2-3-5-6/h2,4,6-7H,3,5H2,1H3.
What are the key properties of cyclopent-2-en-1-yl 3,3,3-trifluoro-2-methoxypropanoate?
cyclopent-2-en-1-yl 3,3,3-trifluoro-2-methoxypropanoate has a molecular weight of 224.18 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-2-en-1-yl 3,3,3-trifluoro-2-methoxypropanoate is sourced from PubChem (CID 54349032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).