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

C5H6F2O3 — CID 67255433

IUPAC4-(2,2-difluoroethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(CC(F)F)O1
InChIInChI=1S/C5H6F2O3/c6-4(7)1-3-2-9-5(8)10-3/h3-4H,1-2H2
InChIKeyMXNARQVWFQLNIS-UHFFFAOYSA-N
MW152.10 g/mol
LogP1.18
Rot. Bonds2

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

4-(2,2-difluoroethyl)-1,3-dioxolan-2-one (PubChem CID 67255433) has the molecular formula C5H6F2O3 and a molecular weight of 152.10 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-1,3-dioxolan-2-one
PubChem CID67255433
Molecular FormulaC5H6F2O3
Molecular Weight152.10 g/mol
Exact Mass152.03
IUPAC Name4-(2,2-difluoroethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(CC(F)F)O1
InChIInChI=1S/C5H6F2O3/c6-4(7)1-3-2-9-5(8)10-3/h3-4H,1-2H2
InChIKeyMXNARQVWFQLNIS-UHFFFAOYSA-N
XLogP1.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.10
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(2,2-difluoroethyl)-1,3-dioxolan-2-one (CID 67255433) is 4-(2,2-difluoroethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(2,2-difluoroethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(2,2-difluoroethyl)-1,3-dioxolan-2-one is O=C1OCC(CC(F)F)O1.
What is the InChIKey of 4-(2,2-difluoroethyl)-1,3-dioxolan-2-one?
The InChIKey is MXNARQVWFQLNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2O3/c6-4(7)1-3-2-9-5(8)10-3/h3-4H,1-2H2.
What are the key properties of 4-(2,2-difluoroethyl)-1,3-dioxolan-2-one?
4-(2,2-difluoroethyl)-1,3-dioxolan-2-one has a molecular weight of 152.10 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 67255433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).