(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-difluoroacetate

C6H6F2O5 — CID 87396873

IUPAC(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-difluoroacetate
SMILESO=C1OCC(COC(=O)C(F)F)O1
InChIInChI=1S/C6H6F2O5/c7-4(8)5(9)11-1-3-2-12-6(10)13-3/h3-4H,1-2H2
InChIKeyHHRUZMQJOBMBJN-UHFFFAOYSA-N
MW196.10 g/mol
LogP0.33
Rot. Bonds3

About (2-oxo-1,3-dioxolan-4-yl)methyl 2,2-difluoroacetate

(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-difluoroacetate (PubChem CID 87396873) has the molecular formula C6H6F2O5 and a molecular weight of 196.10 g/mol. Its IUPAC name is (2-oxo-1,3-dioxolan-4-yl)methyl 2,2-difluoroacetate.

Molecular Properties

Compound Name(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-difluoroacetate
PubChem CID87396873
Molecular FormulaC6H6F2O5
Molecular Weight196.10 g/mol
Exact Mass196.02
IUPAC Name(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-difluoroacetate
SMILESO=C1OCC(COC(=O)C(F)F)O1
InChIInChI=1S/C6H6F2O5/c7-4(8)5(9)11-1-3-2-12-6(10)13-3/h3-4H,1-2H2
InChIKeyHHRUZMQJOBMBJN-UHFFFAOYSA-N
XLogP0.33
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.10
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3-dioxolan-4-yl)methyl 2,2-difluoroacetate?
The IUPAC name of (2-oxo-1,3-dioxolan-4-yl)methyl 2,2-difluoroacetate (CID 87396873) is (2-oxo-1,3-dioxolan-4-yl)methyl 2,2-difluoroacetate.
What is the SMILES notation for (2-oxo-1,3-dioxolan-4-yl)methyl 2,2-difluoroacetate?
The canonical SMILES for (2-oxo-1,3-dioxolan-4-yl)methyl 2,2-difluoroacetate is O=C1OCC(COC(=O)C(F)F)O1.
What is the InChIKey of (2-oxo-1,3-dioxolan-4-yl)methyl 2,2-difluoroacetate?
The InChIKey is HHRUZMQJOBMBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2O5/c7-4(8)5(9)11-1-3-2-12-6(10)13-3/h3-4H,1-2H2.
What are the key properties of (2-oxo-1,3-dioxolan-4-yl)methyl 2,2-difluoroacetate?
(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-difluoroacetate has a molecular weight of 196.10 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-dioxolan-4-yl)methyl 2,2-difluoroacetate is sourced from PubChem (CID 87396873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).