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

C9H11F3O4 — CID 147307453

IUPAC4-ethyl-4-[(Z)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one
SMILESCCC1(OC/C=C\C(F)(F)F)COC(=O)O1
InChIInChI=1S/C9H11F3O4/c1-2-8(6-14-7(13)16-8)15-5-3-4-9(10,11)12/h3-4H,2,5-6H2,1H3/b4-3-
InChIKeyCXHFQAWJYPYWOA-ARJAWSKDSA-N
MW240.18 g/mol
LogP2.39
Rot. Bonds4

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

4-ethyl-4-[(Z)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one (PubChem CID 147307453) has the molecular formula C9H11F3O4 and a molecular weight of 240.18 g/mol. Its IUPAC name is 4-ethyl-4-[(Z)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-ethyl-4-[(Z)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one
PubChem CID147307453
Molecular FormulaC9H11F3O4
Molecular Weight240.18 g/mol
Exact Mass240.06
IUPAC Name4-ethyl-4-[(Z)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one
SMILESCCC1(OC/C=C\C(F)(F)F)COC(=O)O1
InChIInChI=1S/C9H11F3O4/c1-2-8(6-14-7(13)16-8)15-5-3-4-9(10,11)12/h3-4H,2,5-6H2,1H3/b4-3-
InChIKeyCXHFQAWJYPYWOA-ARJAWSKDSA-N
XLogP2.39
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 52.39
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-ethyl-4-[(Z)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one?
The IUPAC name of 4-ethyl-4-[(Z)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one (CID 147307453) is 4-ethyl-4-[(Z)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-ethyl-4-[(Z)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one?
The canonical SMILES for 4-ethyl-4-[(Z)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one is CCC1(OC/C=C\C(F)(F)F)COC(=O)O1.
What is the InChIKey of 4-ethyl-4-[(Z)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one?
The InChIKey is CXHFQAWJYPYWOA-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H11F3O4/c1-2-8(6-14-7(13)16-8)15-5-3-4-9(10,11)12/h3-4H,2,5-6H2,1H3/b4-3-.
What are the key properties of 4-ethyl-4-[(Z)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one?
4-ethyl-4-[(Z)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one has a molecular weight of 240.18 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-[(Z)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one is sourced from PubChem (CID 147307453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).