4-ethyl-4,5-difluoro-5-methyl-1,3-dioxolan-2-one

C6H8F2O3 — CID 66892633

IUPAC4-ethyl-4,5-difluoro-5-methyl-1,3-dioxolan-2-one
SMILESCCC1(F)OC(=O)OC1(C)F
InChIInChI=1S/C6H8F2O3/c1-3-6(8)5(2,7)10-4(9)11-6/h3H2,1-2H3
InChIKeyHERNDKSCCMCFPG-UHFFFAOYSA-N
MW166.12 g/mol
LogP1.91
Rot. Bonds1

About 4-ethyl-4,5-difluoro-5-methyl-1,3-dioxolan-2-one

4-ethyl-4,5-difluoro-5-methyl-1,3-dioxolan-2-one (PubChem CID 66892633) has the molecular formula C6H8F2O3 and a molecular weight of 166.12 g/mol. Its IUPAC name is 4-ethyl-4,5-difluoro-5-methyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-ethyl-4,5-difluoro-5-methyl-1,3-dioxolan-2-one
PubChem CID66892633
Molecular FormulaC6H8F2O3
Molecular Weight166.12 g/mol
Exact Mass166.04
IUPAC Name4-ethyl-4,5-difluoro-5-methyl-1,3-dioxolan-2-one
SMILESCCC1(F)OC(=O)OC1(C)F
InChIInChI=1S/C6H8F2O3/c1-3-6(8)5(2,7)10-4(9)11-6/h3H2,1-2H3
InChIKeyHERNDKSCCMCFPG-UHFFFAOYSA-N
XLogP1.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4,5-difluoro-5-methyl-1,3-dioxolan-2-one?
The IUPAC name of 4-ethyl-4,5-difluoro-5-methyl-1,3-dioxolan-2-one (CID 66892633) is 4-ethyl-4,5-difluoro-5-methyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-ethyl-4,5-difluoro-5-methyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-ethyl-4,5-difluoro-5-methyl-1,3-dioxolan-2-one is CCC1(F)OC(=O)OC1(C)F.
What is the InChIKey of 4-ethyl-4,5-difluoro-5-methyl-1,3-dioxolan-2-one?
The InChIKey is HERNDKSCCMCFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O3/c1-3-6(8)5(2,7)10-4(9)11-6/h3H2,1-2H3.
What are the key properties of 4-ethyl-4,5-difluoro-5-methyl-1,3-dioxolan-2-one?
4-ethyl-4,5-difluoro-5-methyl-1,3-dioxolan-2-one has a molecular weight of 166.12 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4,5-difluoro-5-methyl-1,3-dioxolan-2-one is sourced from PubChem (CID 66892633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).