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

C13H23FO4 — CID 102182167

IUPACethyl 2-[(3R)-2-(2,2-dimethylpropoxy)oxolan-3-yl]-2-fluoroacetate
SMILESCCOC(=O)C(F)[C@@H]1CCOC1OCC(C)(C)C
InChIInChI=1S/C13H23FO4/c1-5-16-11(15)10(14)9-6-7-17-12(9)18-8-13(2,3)4/h9-10,12H,5-8H2,1-4H3/t9-,10?,12?/m0/s1
InChIKeyAAEZQKSSTUTHCX-BMQDGWLCSA-N
MW262.32 g/mol
LogP2.31
Rot. Bonds5

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

ethyl 2-[(3R)-2-(2,2-dimethylpropoxy)oxolan-3-yl]-2-fluoroacetate (PubChem CID 102182167) has the molecular formula C13H23FO4 and a molecular weight of 262.32 g/mol. Its IUPAC name is ethyl 2-[(3R)-2-(2,2-dimethylpropoxy)oxolan-3-yl]-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-[(3R)-2-(2,2-dimethylpropoxy)oxolan-3-yl]-2-fluoroacetate
PubChem CID102182167
Molecular FormulaC13H23FO4
Molecular Weight262.32 g/mol
Exact Mass262.16
IUPAC Nameethyl 2-[(3R)-2-(2,2-dimethylpropoxy)oxolan-3-yl]-2-fluoroacetate
SMILESCCOC(=O)C(F)[C@@H]1CCOC1OCC(C)(C)C
InChIInChI=1S/C13H23FO4/c1-5-16-11(15)10(14)9-6-7-17-12(9)18-8-13(2,3)4/h9-10,12H,5-8H2,1-4H3/t9-,10?,12?/m0/s1
InChIKeyAAEZQKSSTUTHCX-BMQDGWLCSA-N
XLogP2.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(3R)-2-(2,2-dimethylpropoxy)oxolan-3-yl]-2-fluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3R)-2-(2,2-dimethylpropoxy)oxolan-3-yl]-2-fluoroacetate?
The IUPAC name of ethyl 2-[(3R)-2-(2,2-dimethylpropoxy)oxolan-3-yl]-2-fluoroacetate (CID 102182167) is ethyl 2-[(3R)-2-(2,2-dimethylpropoxy)oxolan-3-yl]-2-fluoroacetate.
What is the SMILES notation for ethyl 2-[(3R)-2-(2,2-dimethylpropoxy)oxolan-3-yl]-2-fluoroacetate?
The canonical SMILES for ethyl 2-[(3R)-2-(2,2-dimethylpropoxy)oxolan-3-yl]-2-fluoroacetate is CCOC(=O)C(F)[C@@H]1CCOC1OCC(C)(C)C.
What is the InChIKey of ethyl 2-[(3R)-2-(2,2-dimethylpropoxy)oxolan-3-yl]-2-fluoroacetate?
The InChIKey is AAEZQKSSTUTHCX-BMQDGWLCSA-N. The full InChI is InChI=1S/C13H23FO4/c1-5-16-11(15)10(14)9-6-7-17-12(9)18-8-13(2,3)4/h9-10,12H,5-8H2,1-4H3/t9-,10?,12?/m0/s1.
What are the key properties of ethyl 2-[(3R)-2-(2,2-dimethylpropoxy)oxolan-3-yl]-2-fluoroacetate?
ethyl 2-[(3R)-2-(2,2-dimethylpropoxy)oxolan-3-yl]-2-fluoroacetate has a molecular weight of 262.32 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3R)-2-(2,2-dimethylpropoxy)oxolan-3-yl]-2-fluoroacetate is sourced from PubChem (CID 102182167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).