4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-dioxolan-2-one

C7H6F6O4 — CID 14149936

IUPAC4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(COC(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C7H6F6O4/c8-6(9,10)4(7(11,12)13)15-1-3-2-16-5(14)17-3/h3-4H,1-2H2
InChIKeyQWSWYQWXNGQSIN-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.03
Rot. Bonds3

About 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-dioxolan-2-one

4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-dioxolan-2-one (PubChem CID 14149936) has the molecular formula C7H6F6O4 and a molecular weight of 268.11 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-dioxolan-2-one
PubChem CID14149936
Molecular FormulaC7H6F6O4
Molecular Weight268.11 g/mol
Exact Mass268.02
IUPAC Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(COC(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C7H6F6O4/c8-6(9,10)4(7(11,12)13)15-1-3-2-16-5(14)17-3/h3-4H,1-2H2
InChIKeyQWSWYQWXNGQSIN-UHFFFAOYSA-N
XLogP2.03
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-dioxolan-2-one (CID 14149936) is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-dioxolan-2-one is O=C1OCC(COC(C(F)(F)F)C(F)(F)F)O1.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-dioxolan-2-one?
The InChIKey is QWSWYQWXNGQSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6O4/c8-6(9,10)4(7(11,12)13)15-1-3-2-16-5(14)17-3/h3-4H,1-2H2.
What are the key properties of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-dioxolan-2-one?
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-dioxolan-2-one has a molecular weight of 268.11 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 14149936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).