4-[(E)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one

C7H7F3O4 — CID 142556432

IUPAC4-[(E)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one
SMILESO=C1OCC(OC/C=C/C(F)(F)F)O1
InChIInChI=1S/C7H7F3O4/c8-7(9,10)2-1-3-12-5-4-13-6(11)14-5/h1-2,5H,3-4H2/b2-1+
InChIKeyUECCWCUMIAAIHK-OWOJBTEDSA-N
MW212.12 g/mol
LogP1.61
Rot. Bonds3

About 4-[(E)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one

4-[(E)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one (PubChem CID 142556432) has the molecular formula C7H7F3O4 and a molecular weight of 212.12 g/mol. Its IUPAC name is 4-[(E)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[(E)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one
PubChem CID142556432
Molecular FormulaC7H7F3O4
Molecular Weight212.12 g/mol
Exact Mass212.03
IUPAC Name4-[(E)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one
SMILESO=C1OCC(OC/C=C/C(F)(F)F)O1
InChIInChI=1S/C7H7F3O4/c8-7(9,10)2-1-3-12-5-4-13-6(11)14-5/h1-2,5H,3-4H2/b2-1+
InChIKeyUECCWCUMIAAIHK-OWOJBTEDSA-N
XLogP1.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-[(E)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one?
The IUPAC name of 4-[(E)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one (CID 142556432) is 4-[(E)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[(E)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[(E)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one is O=C1OCC(OC/C=C/C(F)(F)F)O1.
What is the InChIKey of 4-[(E)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one?
The InChIKey is UECCWCUMIAAIHK-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H7F3O4/c8-7(9,10)2-1-3-12-5-4-13-6(11)14-5/h1-2,5H,3-4H2/b2-1+.
What are the key properties of 4-[(E)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one?
4-[(E)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one has a molecular weight of 212.12 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one is sourced from PubChem (CID 142556432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).