4-(2-fluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one

C8H6F6O4 — CID 138667863

IUPAC4-(2-fluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one
SMILESC=C(F)COC1(C(F)(F)C(F)(F)F)COC(=O)O1
InChIInChI=1S/C8H6F6O4/c1-4(9)2-17-6(3-16-5(15)18-6)7(10,11)8(12,13)14/h1-3H2
InChIKeyUYSQJHREVLLBSJ-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.55
Rot. Bonds4

About 4-(2-fluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one

4-(2-fluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one (PubChem CID 138667863) has the molecular formula C8H6F6O4 and a molecular weight of 280.12 g/mol. Its IUPAC name is 4-(2-fluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(2-fluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one
PubChem CID138667863
Molecular FormulaC8H6F6O4
Molecular Weight280.12 g/mol
Exact Mass280.02
IUPAC Name4-(2-fluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one
SMILESC=C(F)COC1(C(F)(F)C(F)(F)F)COC(=O)O1
InChIInChI=1S/C8H6F6O4/c1-4(9)2-17-6(3-16-5(15)18-6)7(10,11)8(12,13)14/h1-3H2
InChIKeyUYSQJHREVLLBSJ-UHFFFAOYSA-N
XLogP2.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(2-fluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one (CID 138667863) is 4-(2-fluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(2-fluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(2-fluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one is C=C(F)COC1(C(F)(F)C(F)(F)F)COC(=O)O1.
What is the InChIKey of 4-(2-fluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one?
The InChIKey is UYSQJHREVLLBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6O4/c1-4(9)2-17-6(3-16-5(15)18-6)7(10,11)8(12,13)14/h1-3H2.
What are the key properties of 4-(2-fluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one?
4-(2-fluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one has a molecular weight of 280.12 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 138667863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).