4-(2,2,3,3,3-pentafluoropropyl)-1,3-dioxolan-2-one

C6H5F5O3 — CID 14008832

IUPAC4-(2,2,3,3,3-pentafluoropropyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(CC(F)(F)C(F)(F)F)O1
InChIInChI=1S/C6H5F5O3/c7-5(8,6(9,10)11)1-3-2-13-4(12)14-3/h3H,1-2H2
InChIKeyMOVBXKCIDZBISV-UHFFFAOYSA-N
MW220.09 g/mol
LogP2.11
Rot. Bonds2

About 4-(2,2,3,3,3-pentafluoropropyl)-1,3-dioxolan-2-one

4-(2,2,3,3,3-pentafluoropropyl)-1,3-dioxolan-2-one (PubChem CID 14008832) has the molecular formula C6H5F5O3 and a molecular weight of 220.09 g/mol. Its IUPAC name is 4-(2,2,3,3,3-pentafluoropropyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(2,2,3,3,3-pentafluoropropyl)-1,3-dioxolan-2-one
PubChem CID14008832
Molecular FormulaC6H5F5O3
Molecular Weight220.09 g/mol
Exact Mass220.02
IUPAC Name4-(2,2,3,3,3-pentafluoropropyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(CC(F)(F)C(F)(F)F)O1
InChIInChI=1S/C6H5F5O3/c7-5(8,6(9,10)11)1-3-2-13-4(12)14-3/h3H,1-2H2
InChIKeyMOVBXKCIDZBISV-UHFFFAOYSA-N
XLogP2.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.09
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2,2,3,3,3-pentafluoropropyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(2,2,3,3,3-pentafluoropropyl)-1,3-dioxolan-2-one (CID 14008832) is 4-(2,2,3,3,3-pentafluoropropyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(2,2,3,3,3-pentafluoropropyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(2,2,3,3,3-pentafluoropropyl)-1,3-dioxolan-2-one is O=C1OCC(CC(F)(F)C(F)(F)F)O1.
What is the InChIKey of 4-(2,2,3,3,3-pentafluoropropyl)-1,3-dioxolan-2-one?
The InChIKey is MOVBXKCIDZBISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5O3/c7-5(8,6(9,10)11)1-3-2-13-4(12)14-3/h3H,1-2H2.
What are the key properties of 4-(2,2,3,3,3-pentafluoropropyl)-1,3-dioxolan-2-one?
4-(2,2,3,3,3-pentafluoropropyl)-1,3-dioxolan-2-one has a molecular weight of 220.09 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3,3-pentafluoropropyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 14008832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).