ethyl 2-[(2R,3R)-2-ethoxyoxolan-3-yl]-2-fluoroacetate

C10H17FO4 — CID 11550309

IUPACethyl 2-[(2R,3R)-2-ethoxyoxolan-3-yl]-2-fluoroacetate
SMILESCCOC(=O)C(F)[C@@H]1CCO[C@H]1OCC
InChIInChI=1S/C10H17FO4/c1-3-13-9(12)8(11)7-5-6-15-10(7)14-4-2/h7-8,10H,3-6H2,1-2H3/t7-,8?,10+/m0/s1
InChIKeyATEGCFIQVNWKRR-HKJUDDBKSA-N
MW220.24 g/mol
LogP1.29
Rot. Bonds5

About ethyl 2-[(2R,3R)-2-ethoxyoxolan-3-yl]-2-fluoroacetate

ethyl 2-[(2R,3R)-2-ethoxyoxolan-3-yl]-2-fluoroacetate (PubChem CID 11550309) has the molecular formula C10H17FO4 and a molecular weight of 220.24 g/mol. Its IUPAC name is ethyl 2-[(2R,3R)-2-ethoxyoxolan-3-yl]-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-[(2R,3R)-2-ethoxyoxolan-3-yl]-2-fluoroacetate
PubChem CID11550309
Molecular FormulaC10H17FO4
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Nameethyl 2-[(2R,3R)-2-ethoxyoxolan-3-yl]-2-fluoroacetate
SMILESCCOC(=O)C(F)[C@@H]1CCO[C@H]1OCC
InChIInChI=1S/C10H17FO4/c1-3-13-9(12)8(11)7-5-6-15-10(7)14-4-2/h7-8,10H,3-6H2,1-2H3/t7-,8?,10+/m0/s1
InChIKeyATEGCFIQVNWKRR-HKJUDDBKSA-N
XLogP1.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluorobutanoate
CID 59408202
ethyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylbutanoate
CID 89448775
methyl (2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylbutanoate
CID 89448787
5-Ethoxy-4-ethyloxolan-2-one
CID 12864817
(5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl) acetate
CID 123405200
(3-Oxo-2,7-dioxabicyclo[3.2.1]octan-6-yl) acetate
CID 123816316
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
ethyl 2-[(3R)-2-ethoxyoxolan-3-yl]-2-fluoroacetate
CID 102182166
ethyl 2-[(3R)-2-(2,2-dimethylpropoxy)oxolan-3-yl]-2-fluoroacetate
CID 102182167
Ethyl 2-(2-ethoxyoxolan-3-yl)-2,2-difluoroacetate
CID 132553886

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R,3R)-2-ethoxyoxolan-3-yl]-2-fluoroacetate?
The IUPAC name of ethyl 2-[(2R,3R)-2-ethoxyoxolan-3-yl]-2-fluoroacetate (CID 11550309) is ethyl 2-[(2R,3R)-2-ethoxyoxolan-3-yl]-2-fluoroacetate.
What is the SMILES notation for ethyl 2-[(2R,3R)-2-ethoxyoxolan-3-yl]-2-fluoroacetate?
The canonical SMILES for ethyl 2-[(2R,3R)-2-ethoxyoxolan-3-yl]-2-fluoroacetate is CCOC(=O)C(F)[C@@H]1CCO[C@H]1OCC.
What is the InChIKey of ethyl 2-[(2R,3R)-2-ethoxyoxolan-3-yl]-2-fluoroacetate?
The InChIKey is ATEGCFIQVNWKRR-HKJUDDBKSA-N. The full InChI is InChI=1S/C10H17FO4/c1-3-13-9(12)8(11)7-5-6-15-10(7)14-4-2/h7-8,10H,3-6H2,1-2H3/t7-,8?,10+/m0/s1.
What are the key properties of ethyl 2-[(2R,3R)-2-ethoxyoxolan-3-yl]-2-fluoroacetate?
ethyl 2-[(2R,3R)-2-ethoxyoxolan-3-yl]-2-fluoroacetate has a molecular weight of 220.24 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R,3R)-2-ethoxyoxolan-3-yl]-2-fluoroacetate is sourced from PubChem (CID 11550309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).