ethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-2-methylpropanoate

C11H19FO4 — CID 144602734

IUPACethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-2-methylpropanoate
SMILESCCOC(=O)[C@](C)(F)C[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H19FO4/c1-5-14-9(13)11(4,12)6-8-7-15-10(2,3)16-8/h8H,5-7H2,1-4H3/t8-,11+/m0/s1
InChIKeyQJGYGDYGNBDVFZ-GZMMTYOYSA-N
MW234.27 g/mol
LogP1.82
Rot. Bonds4

About ethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-2-methylpropanoate

ethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-2-methylpropanoate (PubChem CID 144602734) has the molecular formula C11H19FO4 and a molecular weight of 234.27 g/mol. Its IUPAC name is ethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-2-methylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-2-methylpropanoate
PubChem CID144602734
Molecular FormulaC11H19FO4
Molecular Weight234.27 g/mol
Exact Mass234.13
IUPAC Nameethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-2-methylpropanoate
SMILESCCOC(=O)[C@](C)(F)C[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H19FO4/c1-5-14-9(13)11(4,12)6-8-7-15-10(2,3)16-8/h8H,5-7H2,1-4H3/t8-,11+/m0/s1
InChIKeyQJGYGDYGNBDVFZ-GZMMTYOYSA-N
XLogP1.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-2-methylpropanoate?
The IUPAC name of ethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-2-methylpropanoate (CID 144602734) is ethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-2-methylpropanoate.
What is the SMILES notation for ethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-2-methylpropanoate?
The canonical SMILES for ethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-2-methylpropanoate is CCOC(=O)[C@](C)(F)C[C@H]1COC(C)(C)O1.
What is the InChIKey of ethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-2-methylpropanoate?
The InChIKey is QJGYGDYGNBDVFZ-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H19FO4/c1-5-14-9(13)11(4,12)6-8-7-15-10(2,3)16-8/h8H,5-7H2,1-4H3/t8-,11+/m0/s1.
What are the key properties of ethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-2-methylpropanoate?
ethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-2-methylpropanoate has a molecular weight of 234.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-2-methylpropanoate is sourced from PubChem (CID 144602734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).