ethyl 2-(2-ethoxyoxolan-3-yl)-2,2-difluoroacetate

C10H16F2O4 — CID 132553886

IUPACethyl 2-(2-ethoxyoxolan-3-yl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)C1CCOC1OCC
InChIInChI=1S/C10H16F2O4/c1-3-14-8-7(5-6-16-8)10(11,12)9(13)15-4-2/h7-8H,3-6H2,1-2H3
InChIKeyNRXSXNLILKKCPN-UHFFFAOYSA-N
MW238.23 g/mol
LogP1.58
Rot. Bonds5

About ethyl 2-(2-ethoxyoxolan-3-yl)-2,2-difluoroacetate

ethyl 2-(2-ethoxyoxolan-3-yl)-2,2-difluoroacetate (PubChem CID 132553886) has the molecular formula C10H16F2O4 and a molecular weight of 238.23 g/mol. Its IUPAC name is ethyl 2-(2-ethoxyoxolan-3-yl)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxyoxolan-3-yl)-2,2-difluoroacetate
PubChem CID132553886
Molecular FormulaC10H16F2O4
Molecular Weight238.23 g/mol
Exact Mass238.10
IUPAC Nameethyl 2-(2-ethoxyoxolan-3-yl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)C1CCOC1OCC
InChIInChI=1S/C10H16F2O4/c1-3-14-8-7(5-6-16-8)10(11,12)9(13)15-4-2/h7-8H,3-6H2,1-2H3
InChIKeyNRXSXNLILKKCPN-UHFFFAOYSA-N
XLogP1.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(5-Oxooxolan-3-yl)ethyl 2,2-difluoropropanoate
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ethyl 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluorobutanoate
CID 59408202
ethyl 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluorobutanoate;osmium(1+)
CID 145498050
Methane;3-methyl-4-[1-(2,2,2-trifluoroethoxy)propan-2-yl]oxolane-2,5-dione
CID 161651916
Ethyl 2-(2,2-dimethoxyethyl)-4,4,4-trifluorobutanoate
CID 172594738
ethyl 2-[(2R,3R)-2-ethoxyoxolan-3-yl]-2-fluoroacetate
CID 11550309
ethyl 2-[(2S,3R)-2-(2,2-dimethylpropoxy)oxolan-3-yl]-2-fluoroacetate
CID 11579798
Ethyl 2-(2-ethoxyoxolan-3-yl)-2-fluoroacetate
CID 12167702
Ethyl 2-[2-(2,2-dimethylpropoxy)oxolan-3-yl]-2-fluoroacetate
CID 12167703
5,5-Diethoxy-3-(trifluoromethyl)pentanoic acid
CID 82534857
ethyl 2-[(3R)-2-ethoxyoxolan-3-yl]-2-fluoroacetate
CID 102182166

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxyoxolan-3-yl)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(2-ethoxyoxolan-3-yl)-2,2-difluoroacetate (CID 132553886) is ethyl 2-(2-ethoxyoxolan-3-yl)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(2-ethoxyoxolan-3-yl)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(2-ethoxyoxolan-3-yl)-2,2-difluoroacetate is CCOC(=O)C(F)(F)C1CCOC1OCC.
What is the InChIKey of ethyl 2-(2-ethoxyoxolan-3-yl)-2,2-difluoroacetate?
The InChIKey is NRXSXNLILKKCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O4/c1-3-14-8-7(5-6-16-8)10(11,12)9(13)15-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of ethyl 2-(2-ethoxyoxolan-3-yl)-2,2-difluoroacetate?
ethyl 2-(2-ethoxyoxolan-3-yl)-2,2-difluoroacetate has a molecular weight of 238.23 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxyoxolan-3-yl)-2,2-difluoroacetate is sourced from PubChem (CID 132553886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).