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

C7H6F4O4 — CID 154962594

IUPAC4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one
SMILESO=C1OCC(OC/C=C(/F)C(F)(F)F)O1
InChIInChI=1S/C7H6F4O4/c8-4(7(9,10)11)1-2-13-5-3-14-6(12)15-5/h1,5H,2-3H2/b4-1+
InChIKeyKKKHEROKAOZOEC-DAFODLJHSA-N
MW230.11 g/mol
LogP1.91
Rot. Bonds3

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

4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one (PubChem CID 154962594) has the molecular formula C7H6F4O4 and a molecular weight of 230.11 g/mol. Its IUPAC name is 4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one
PubChem CID154962594
Molecular FormulaC7H6F4O4
Molecular Weight230.11 g/mol
Exact Mass230.02
IUPAC Name4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one
SMILESO=C1OCC(OC/C=C(/F)C(F)(F)F)O1
InChIInChI=1S/C7H6F4O4/c8-4(7(9,10)11)1-2-13-5-3-14-6(12)15-5/h1,5H,2-3H2/b4-1+
InChIKeyKKKHEROKAOZOEC-DAFODLJHSA-N
XLogP1.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one?
The IUPAC name of 4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one (CID 154962594) is 4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one is O=C1OCC(OC/C=C(/F)C(F)(F)F)O1.
What is the InChIKey of 4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one?
The InChIKey is KKKHEROKAOZOEC-DAFODLJHSA-N. The full InChI is InChI=1S/C7H6F4O4/c8-4(7(9,10)11)1-2-13-5-3-14-6(12)15-5/h1,5H,2-3H2/b4-1+.
What are the key properties of 4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one?
4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one has a molecular weight of 230.11 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one is sourced from PubChem (CID 154962594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).