4-ethyl-2,2-difluoro-1,3-dioxolane

C5H8F2O2 — CID 18923913

IUPAC4-ethyl-2,2-difluoro-1,3-dioxolane
SMILESCCC1COC(F)(F)O1
InChIInChI=1S/C5H8F2O2/c1-2-4-3-8-5(6,7)9-4/h4H,2-3H2,1H3
InChIKeyHFDSHCJYFVYHQO-UHFFFAOYSA-N
MW138.11 g/mol
LogP1.36
Rot. Bonds1

About 4-ethyl-2,2-difluoro-1,3-dioxolane

4-ethyl-2,2-difluoro-1,3-dioxolane (PubChem CID 18923913) has the molecular formula C5H8F2O2 and a molecular weight of 138.11 g/mol. Its IUPAC name is 4-ethyl-2,2-difluoro-1,3-dioxolane.

Molecular Properties

Compound Name4-ethyl-2,2-difluoro-1,3-dioxolane
PubChem CID18923913
Molecular FormulaC5H8F2O2
Molecular Weight138.11 g/mol
Exact Mass138.05
IUPAC Name4-ethyl-2,2-difluoro-1,3-dioxolane
SMILESCCC1COC(F)(F)O1
InChIInChI=1S/C5H8F2O2/c1-2-4-3-8-5(6,7)9-4/h4H,2-3H2,1H3
InChIKeyHFDSHCJYFVYHQO-UHFFFAOYSA-N
XLogP1.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.11
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2-difluoro-1,3-dioxolane?
The IUPAC name of 4-ethyl-2,2-difluoro-1,3-dioxolane (CID 18923913) is 4-ethyl-2,2-difluoro-1,3-dioxolane.
What is the SMILES notation for 4-ethyl-2,2-difluoro-1,3-dioxolane?
The canonical SMILES for 4-ethyl-2,2-difluoro-1,3-dioxolane is CCC1COC(F)(F)O1.
What is the InChIKey of 4-ethyl-2,2-difluoro-1,3-dioxolane?
The InChIKey is HFDSHCJYFVYHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O2/c1-2-4-3-8-5(6,7)9-4/h4H,2-3H2,1H3.
What are the key properties of 4-ethyl-2,2-difluoro-1,3-dioxolane?
4-ethyl-2,2-difluoro-1,3-dioxolane has a molecular weight of 138.11 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2-difluoro-1,3-dioxolane is sourced from PubChem (CID 18923913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).