ethyl 2-(1,3-benzodioxol-5-yloxy)-2,2-difluoroacetate

C11H10F2O5 — CID 66452196

IUPACethyl 2-(1,3-benzodioxol-5-yloxy)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)Oc1ccc2c(c1)OCO2
InChIInChI=1S/C11H10F2O5/c1-2-15-10(14)11(12,13)18-7-3-4-8-9(5-7)17-6-16-8/h3-5H,2,6H2,1H3
InChIKeyCBEGDOKDLMPCRL-UHFFFAOYSA-N
MW260.19 g/mol
LogP1.95
Rot. Bonds4

About ethyl 2-(1,3-benzodioxol-5-yloxy)-2,2-difluoroacetate

ethyl 2-(1,3-benzodioxol-5-yloxy)-2,2-difluoroacetate (PubChem CID 66452196) has the molecular formula C11H10F2O5 and a molecular weight of 260.19 g/mol. Its IUPAC name is ethyl 2-(1,3-benzodioxol-5-yloxy)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(1,3-benzodioxol-5-yloxy)-2,2-difluoroacetate
PubChem CID66452196
Molecular FormulaC11H10F2O5
Molecular Weight260.19 g/mol
Exact Mass260.05
IUPAC Nameethyl 2-(1,3-benzodioxol-5-yloxy)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)Oc1ccc2c(c1)OCO2
InChIInChI=1S/C11H10F2O5/c1-2-15-10(14)11(12,13)18-7-3-4-8-9(5-7)17-6-16-8/h3-5H,2,6H2,1H3
InChIKeyCBEGDOKDLMPCRL-UHFFFAOYSA-N
XLogP1.95
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-chloro-3-fluorophenoxy)-2,2-difluoroacetate
CID 82717095
ethyl 2-(1,3-benzodioxol-5-yloxy)-3-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoate
CID 69353979
ethyl 2,2-difluoro-2-[4-(hydroxymethyl)phenoxy]acetate
CID 66453718
ethyl 2,2-difluoro-2-(4-propoxyphenoxy)acetate
CID 66452413
2-(1,3-benzodioxol-5-yloxy)butanamide
CID 62901253
ethyl 4-(1,3-benzodioxol-5-yl)-2-hydroxy-2-methylbutanoate
CID 55047904
ethyl N-[2-(1,3-benzodioxol-5-yloxy)ethyl]carbamate
CID 113101754
ethyl (3S)-3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoropropanoate
CID 171248717
ethyl 5-(1,3-benzodioxol-5-yl)-1-methyl-2-(trifluoromethyl)pyrrole-3-carboxylate
CID 154495872
ethyl (2R,3R)-3-(1,3-benzodioxol-5-yl)-2-methylbutanoate
CID 167140833
ethyl 2,2-difluoro-2-(4-methoxy-3-nitrophenoxy)acetate
CID 103201519
1,3-benzodioxol-5-yl 2-aminoacetate
CID 82112116

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-benzodioxol-5-yloxy)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(1,3-benzodioxol-5-yloxy)-2,2-difluoroacetate (CID 66452196) is ethyl 2-(1,3-benzodioxol-5-yloxy)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(1,3-benzodioxol-5-yloxy)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(1,3-benzodioxol-5-yloxy)-2,2-difluoroacetate is CCOC(=O)C(F)(F)Oc1ccc2c(c1)OCO2.
What is the InChIKey of ethyl 2-(1,3-benzodioxol-5-yloxy)-2,2-difluoroacetate?
The InChIKey is CBEGDOKDLMPCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O5/c1-2-15-10(14)11(12,13)18-7-3-4-8-9(5-7)17-6-16-8/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-(1,3-benzodioxol-5-yloxy)-2,2-difluoroacetate?
ethyl 2-(1,3-benzodioxol-5-yloxy)-2,2-difluoroacetate has a molecular weight of 260.19 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-benzodioxol-5-yloxy)-2,2-difluoroacetate is sourced from PubChem (CID 66452196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).