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

C7H5F5O4 — CID 154962593

IUPAC4-[(Z)-2,3,4,4,4-pentafluorobut-2-enoxy]-1,3-dioxolan-2-one
SMILESO=C1OCC(OC/C(F)=C(/F)C(F)(F)F)O1
InChIInChI=1S/C7H5F5O4/c8-3(5(9)7(10,11)12)1-14-4-2-15-6(13)16-4/h4H,1-2H2/b5-3-
InChIKeyFRBDEFXCGWDUPT-HYXAFXHYSA-N
MW248.10 g/mol
LogP2.21
Rot. Bonds3

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

4-[(Z)-2,3,4,4,4-pentafluorobut-2-enoxy]-1,3-dioxolan-2-one (PubChem CID 154962593) has the molecular formula C7H5F5O4 and a molecular weight of 248.10 g/mol. Its IUPAC name is 4-[(Z)-2,3,4,4,4-pentafluorobut-2-enoxy]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[(Z)-2,3,4,4,4-pentafluorobut-2-enoxy]-1,3-dioxolan-2-one
PubChem CID154962593
Molecular FormulaC7H5F5O4
Molecular Weight248.10 g/mol
Exact Mass248.01
IUPAC Name4-[(Z)-2,3,4,4,4-pentafluorobut-2-enoxy]-1,3-dioxolan-2-one
SMILESO=C1OCC(OC/C(F)=C(/F)C(F)(F)F)O1
InChIInChI=1S/C7H5F5O4/c8-3(5(9)7(10,11)12)1-14-4-2-15-6(13)16-4/h4H,1-2H2/b5-3-
InChIKeyFRBDEFXCGWDUPT-HYXAFXHYSA-N
XLogP2.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.10
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2,3,4,4,4-pentafluorobut-2-enoxy]-1,3-dioxolan-2-one?
The IUPAC name of 4-[(Z)-2,3,4,4,4-pentafluorobut-2-enoxy]-1,3-dioxolan-2-one (CID 154962593) is 4-[(Z)-2,3,4,4,4-pentafluorobut-2-enoxy]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[(Z)-2,3,4,4,4-pentafluorobut-2-enoxy]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[(Z)-2,3,4,4,4-pentafluorobut-2-enoxy]-1,3-dioxolan-2-one is O=C1OCC(OC/C(F)=C(/F)C(F)(F)F)O1.
What is the InChIKey of 4-[(Z)-2,3,4,4,4-pentafluorobut-2-enoxy]-1,3-dioxolan-2-one?
The InChIKey is FRBDEFXCGWDUPT-HYXAFXHYSA-N. The full InChI is InChI=1S/C7H5F5O4/c8-3(5(9)7(10,11)12)1-14-4-2-15-6(13)16-4/h4H,1-2H2/b5-3-.
What are the key properties of 4-[(Z)-2,3,4,4,4-pentafluorobut-2-enoxy]-1,3-dioxolan-2-one?
4-[(Z)-2,3,4,4,4-pentafluorobut-2-enoxy]-1,3-dioxolan-2-one has a molecular weight of 248.10 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2,3,4,4,4-pentafluorobut-2-enoxy]-1,3-dioxolan-2-one is sourced from PubChem (CID 154962593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).