ethyl 2,2-difluoro-2-(oxolan-3-yl)acetate

C8H12F2O3 — CID 101183778

IUPACethyl 2,2-difluoro-2-(oxolan-3-yl)acetate
SMILESCCOC(=O)C(F)(F)C1CCOC1
InChIInChI=1S/C8H12F2O3/c1-2-13-7(11)8(9,10)6-3-4-12-5-6/h6H,2-5H2,1H3
InChIKeyWBQVGLWYKPDMIF-UHFFFAOYSA-N
MW194.18 g/mol
LogP1.22
Rot. Bonds3

About ethyl 2,2-difluoro-2-(oxolan-3-yl)acetate

ethyl 2,2-difluoro-2-(oxolan-3-yl)acetate (PubChem CID 101183778) has the molecular formula C8H12F2O3 and a molecular weight of 194.18 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(oxolan-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(oxolan-3-yl)acetate
PubChem CID101183778
Molecular FormulaC8H12F2O3
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Nameethyl 2,2-difluoro-2-(oxolan-3-yl)acetate
SMILESCCOC(=O)C(F)(F)C1CCOC1
InChIInChI=1S/C8H12F2O3/c1-2-13-7(11)8(9,10)6-3-4-12-5-6/h6H,2-5H2,1H3
InChIKeyWBQVGLWYKPDMIF-UHFFFAOYSA-N
XLogP1.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-(oxolan-3-yl)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(oxolan-3-yl)acetate (CID 101183778) is ethyl 2,2-difluoro-2-(oxolan-3-yl)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(oxolan-3-yl)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(oxolan-3-yl)acetate is CCOC(=O)C(F)(F)C1CCOC1.
What is the InChIKey of ethyl 2,2-difluoro-2-(oxolan-3-yl)acetate?
The InChIKey is WBQVGLWYKPDMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O3/c1-2-13-7(11)8(9,10)6-3-4-12-5-6/h6H,2-5H2,1H3.
What are the key properties of ethyl 2,2-difluoro-2-(oxolan-3-yl)acetate?
ethyl 2,2-difluoro-2-(oxolan-3-yl)acetate has a molecular weight of 194.18 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-(oxolan-3-yl)acetate is sourced from PubChem (CID 101183778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).