ethyl 2-(2,3-dihydrofuran-4-yl)-2,2-difluoroacetate

C8H10F2O3 — CID 102177161

IUPACethyl 2-(2,3-dihydrofuran-4-yl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)C1=COCC1
InChIInChI=1S/C8H10F2O3/c1-2-13-7(11)8(9,10)6-3-4-12-5-6/h5H,2-4H2,1H3
InChIKeySYFWYJSAKLOSGB-UHFFFAOYSA-N
MW192.16 g/mol
LogP1.49
Rot. Bonds3

About ethyl 2-(2,3-dihydrofuran-4-yl)-2,2-difluoroacetate

ethyl 2-(2,3-dihydrofuran-4-yl)-2,2-difluoroacetate (PubChem CID 102177161) has the molecular formula C8H10F2O3 and a molecular weight of 192.16 g/mol. Its IUPAC name is ethyl 2-(2,3-dihydrofuran-4-yl)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(2,3-dihydrofuran-4-yl)-2,2-difluoroacetate
PubChem CID102177161
Molecular FormulaC8H10F2O3
Molecular Weight192.16 g/mol
Exact Mass192.06
IUPAC Nameethyl 2-(2,3-dihydrofuran-4-yl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)C1=COCC1
InChIInChI=1S/C8H10F2O3/c1-2-13-7(11)8(9,10)6-3-4-12-5-6/h5H,2-4H2,1H3
InChIKeySYFWYJSAKLOSGB-UHFFFAOYSA-N
XLogP1.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dihydrofuran-4-yl)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(2,3-dihydrofuran-4-yl)-2,2-difluoroacetate (CID 102177161) is ethyl 2-(2,3-dihydrofuran-4-yl)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(2,3-dihydrofuran-4-yl)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(2,3-dihydrofuran-4-yl)-2,2-difluoroacetate is CCOC(=O)C(F)(F)C1=COCC1.
What is the InChIKey of ethyl 2-(2,3-dihydrofuran-4-yl)-2,2-difluoroacetate?
The InChIKey is SYFWYJSAKLOSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O3/c1-2-13-7(11)8(9,10)6-3-4-12-5-6/h5H,2-4H2,1H3.
What are the key properties of ethyl 2-(2,3-dihydrofuran-4-yl)-2,2-difluoroacetate?
ethyl 2-(2,3-dihydrofuran-4-yl)-2,2-difluoroacetate has a molecular weight of 192.16 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dihydrofuran-4-yl)-2,2-difluoroacetate is sourced from PubChem (CID 102177161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).