[(Z)-pent-2-enyl] 2,2,2-trifluoroacetate

C7H9F3O2 — CID 11816234

IUPAC[(Z)-pent-2-enyl] 2,2,2-trifluoroacetate
SMILESCC/C=C\COC(=O)C(F)(F)F
InChIInChI=1S/C7H9F3O2/c1-2-3-4-5-12-6(11)7(8,9)10/h3-4H,2,5H2,1H3/b4-3-
InChIKeyWFLBOORSJHFTGI-ARJAWSKDSA-N
MW182.14 g/mol
LogP2.06
Rot. Bonds3

About [(Z)-pent-2-enyl] 2,2,2-trifluoroacetate

[(Z)-pent-2-enyl] 2,2,2-trifluoroacetate (PubChem CID 11816234) has the molecular formula C7H9F3O2 and a molecular weight of 182.14 g/mol. Its IUPAC name is [(Z)-pent-2-enyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(Z)-pent-2-enyl] 2,2,2-trifluoroacetate
PubChem CID11816234
Molecular FormulaC7H9F3O2
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC Name[(Z)-pent-2-enyl] 2,2,2-trifluoroacetate
SMILESCC/C=C\COC(=O)C(F)(F)F
InChIInChI=1S/C7H9F3O2/c1-2-3-4-5-12-6(11)7(8,9)10/h3-4H,2,5H2,1H3/b4-3-
InChIKeyWFLBOORSJHFTGI-ARJAWSKDSA-N
XLogP2.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 52.06
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 [(Z)-pent-2-enyl] 2,2,2-trifluoroacetate?
The IUPAC name of [(Z)-pent-2-enyl] 2,2,2-trifluoroacetate (CID 11816234) is [(Z)-pent-2-enyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(Z)-pent-2-enyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(Z)-pent-2-enyl] 2,2,2-trifluoroacetate is CC/C=C\COC(=O)C(F)(F)F.
What is the InChIKey of [(Z)-pent-2-enyl] 2,2,2-trifluoroacetate?
The InChIKey is WFLBOORSJHFTGI-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H9F3O2/c1-2-3-4-5-12-6(11)7(8,9)10/h3-4H,2,5H2,1H3/b4-3-.
What are the key properties of [(Z)-pent-2-enyl] 2,2,2-trifluoroacetate?
[(Z)-pent-2-enyl] 2,2,2-trifluoroacetate has a molecular weight of 182.14 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-pent-2-enyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 11816234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).