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

C7H4F8O3 — CID 130342343

IUPAC4-(1,1,2,2,3,3,4,4-octafluorobutyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(C(F)(F)C(F)(F)C(F)(F)C(F)F)O1
InChIInChI=1S/C7H4F8O3/c8-3(9)6(12,13)7(14,15)5(10,11)2-1-17-4(16)18-2/h2-3H,1H2
InChIKeyJLJODEHOSWTGTA-UHFFFAOYSA-N
MW288.09 g/mol
LogP2.69
Rot. Bonds4

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

4-(1,1,2,2,3,3,4,4-octafluorobutyl)-1,3-dioxolan-2-one (PubChem CID 130342343) has the molecular formula C7H4F8O3 and a molecular weight of 288.09 g/mol. Its IUPAC name is 4-(1,1,2,2,3,3,4,4-octafluorobutyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(1,1,2,2,3,3,4,4-octafluorobutyl)-1,3-dioxolan-2-one
PubChem CID130342343
Molecular FormulaC7H4F8O3
Molecular Weight288.09 g/mol
Exact Mass288.00
IUPAC Name4-(1,1,2,2,3,3,4,4-octafluorobutyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(C(F)(F)C(F)(F)C(F)(F)C(F)F)O1
InChIInChI=1S/C7H4F8O3/c8-3(9)6(12,13)7(14,15)5(10,11)2-1-17-4(16)18-2/h2-3H,1H2
InChIKeyJLJODEHOSWTGTA-UHFFFAOYSA-N
XLogP2.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptyl)-1,3-dioxolan-2-one
CID 14008833
4-(2,2,3,3,4,4,5,5,5-Nonafluoropentyl)-1,3-dioxolan-2-one
CID 57645377
4-(Nonafluorobutyl)-1,3-dioxolan-2-one
CID 112758214
4-(Perfluorohexyl)-1,3-dioxolan-2-one
CID 13278452
4-(2,2,3,3,3-Pentafluoropropyl)-1,3-dioxolane-2-one
CID 14008832
4-[2,3,3,3-Tetrafluoro-2-(trifluoromethyl)propyl]-1,3-dioxolane-2-one
CID 14008835
4-(1-Fluorobutyl)-1,3-dioxolan-2-one
CID 18413651
5-(1,2-Difluoroethyl)-4,4-difluoro-1,3-dioxolan-2-one
CID 23547103
4-(2,2,2-Trifluoroethyl)-1,3-dioxolan-2-one
CID 53695919
5-(1,1-Difluoroethyl)-4,4-difluoro-1,3-dioxolan-2-one
CID 59427016
4-Ethyl-4-fluoro-5-(trifluoromethyl)-1,3-dioxolan-2-one
CID 59435102
4-(2,2-Difluoroethyl)-1,3-dioxolan-2-one
CID 67255433

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,2,3,3,4,4-octafluorobutyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(1,1,2,2,3,3,4,4-octafluorobutyl)-1,3-dioxolan-2-one (CID 130342343) is 4-(1,1,2,2,3,3,4,4-octafluorobutyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(1,1,2,2,3,3,4,4-octafluorobutyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(1,1,2,2,3,3,4,4-octafluorobutyl)-1,3-dioxolan-2-one is O=C1OCC(C(F)(F)C(F)(F)C(F)(F)C(F)F)O1.
What is the InChIKey of 4-(1,1,2,2,3,3,4,4-octafluorobutyl)-1,3-dioxolan-2-one?
The InChIKey is JLJODEHOSWTGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F8O3/c8-3(9)6(12,13)7(14,15)5(10,11)2-1-17-4(16)18-2/h2-3H,1H2.
What are the key properties of 4-(1,1,2,2,3,3,4,4-octafluorobutyl)-1,3-dioxolan-2-one?
4-(1,1,2,2,3,3,4,4-octafluorobutyl)-1,3-dioxolan-2-one has a molecular weight of 288.09 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2,3,3,4,4-octafluorobutyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 130342343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).