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

C8H7F7O4 — CID 54456817

IUPAC4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(COCC(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C8H7F7O4/c9-6(10,7(11,12)8(13,14)15)3-17-1-4-2-18-5(16)19-4/h4H,1-3H2
InChIKeyWYTSCNURXYPSNP-UHFFFAOYSA-N
MW300.13 g/mol
LogP2.37
Rot. Bonds5

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

4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-1,3-dioxolan-2-one (PubChem CID 54456817) has the molecular formula C8H7F7O4 and a molecular weight of 300.13 g/mol. Its IUPAC name is 4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-1,3-dioxolan-2-one
PubChem CID54456817
Molecular FormulaC8H7F7O4
Molecular Weight300.13 g/mol
Exact Mass300.02
IUPAC Name4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(COCC(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C8H7F7O4/c9-6(10,7(11,12)8(13,14)15)3-17-1-4-2-18-5(16)19-4/h4H,1-3H2
InChIKeyWYTSCNURXYPSNP-UHFFFAOYSA-N
XLogP2.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 52.37
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-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-1,3-dioxolan-2-one (CID 54456817) is 4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-1,3-dioxolan-2-one is O=C1OCC(COCC(F)(F)C(F)(F)C(F)(F)F)O1.
What is the InChIKey of 4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-1,3-dioxolan-2-one?
The InChIKey is WYTSCNURXYPSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F7O4/c9-6(10,7(11,12)8(13,14)15)3-17-1-4-2-18-5(16)19-4/h4H,1-3H2.
What are the key properties of 4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-1,3-dioxolan-2-one?
4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-1,3-dioxolan-2-one has a molecular weight of 300.13 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 54456817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).