ethyl (2R,3R)-3-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-fluoro-3-hydroxypropanoate

C13H21FO5 — CID 10778831

IUPACethyl (2R,3R)-3-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-fluoro-3-hydroxypropanoate
SMILESCCOC(=O)[C@H](F)[C@H](O)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C13H21FO5/c1-2-17-12(16)10(14)11(15)9-8-18-13(19-9)6-4-3-5-7-13/h9-11,15H,2-8H2,1H3/t9-,10-,11-/m1/s1
InChIKeyNRILXUYRUFXEQH-GMTAPVOTSA-N
MW276.30 g/mol
LogP1.32
Rot. Bonds4

About ethyl (2R,3R)-3-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-fluoro-3-hydroxypropanoate

ethyl (2R,3R)-3-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-fluoro-3-hydroxypropanoate (PubChem CID 10778831) has the molecular formula C13H21FO5 and a molecular weight of 276.30 g/mol. Its IUPAC name is ethyl (2R,3R)-3-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-fluoro-3-hydroxypropanoate.

Molecular Properties

Compound Nameethyl (2R,3R)-3-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-fluoro-3-hydroxypropanoate
PubChem CID10778831
Molecular FormulaC13H21FO5
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Nameethyl (2R,3R)-3-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-fluoro-3-hydroxypropanoate
SMILESCCOC(=O)[C@H](F)[C@H](O)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C13H21FO5/c1-2-17-12(16)10(14)11(15)9-8-18-13(19-9)6-4-3-5-7-13/h9-11,15H,2-8H2,1H3/t9-,10-,11-/m1/s1
InChIKeyNRILXUYRUFXEQH-GMTAPVOTSA-N
XLogP1.32
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (2R,3R)-3-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-fluoro-3-hydroxypropanoate with MolForge

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

Launch Full Analysis

Related Compounds

(4R,5S)-4-hydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-one
CID 145997932
Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoate
CID 13477297
(4S)-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-2-one
CID 162647725
(4R)-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-2-one
CID 162656765
(R)-Ethyl 3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoate
CID 11658900
Ethyl 3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoate
CID 13477300
(2R,3R)-ethyl 3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoate
CID 42625044
(4S,5R)-5-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one
CID 102322384
ethyl (2S,3R)-2-bromo-3-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-fluoro-3-hydroxypropanoate
CID 146161853
Ethyl 3-[(4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 25018196
ethyl 3-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 60166177
heptyl [(2R,3S)-2-(hydroxymethyl)-5-oxooxolan-3-yl] carbonate
CID 44276399

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-3-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-fluoro-3-hydroxypropanoate?
The IUPAC name of ethyl (2R,3R)-3-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-fluoro-3-hydroxypropanoate (CID 10778831) is ethyl (2R,3R)-3-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-fluoro-3-hydroxypropanoate.
What is the SMILES notation for ethyl (2R,3R)-3-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-fluoro-3-hydroxypropanoate?
The canonical SMILES for ethyl (2R,3R)-3-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-fluoro-3-hydroxypropanoate is CCOC(=O)[C@H](F)[C@H](O)[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of ethyl (2R,3R)-3-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-fluoro-3-hydroxypropanoate?
The InChIKey is NRILXUYRUFXEQH-GMTAPVOTSA-N. The full InChI is InChI=1S/C13H21FO5/c1-2-17-12(16)10(14)11(15)9-8-18-13(19-9)6-4-3-5-7-13/h9-11,15H,2-8H2,1H3/t9-,10-,11-/m1/s1.
What are the key properties of ethyl (2R,3R)-3-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-fluoro-3-hydroxypropanoate?
ethyl (2R,3R)-3-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-fluoro-3-hydroxypropanoate has a molecular weight of 276.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-3-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-fluoro-3-hydroxypropanoate is sourced from PubChem (CID 10778831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).