[(3S,5R)-5-ethyl-4,4-difluoro-3-hydroxyoxolan-2-yl] acetate

C8H12F2O4 — CID 126585094

IUPAC[(3S,5R)-5-ethyl-4,4-difluoro-3-hydroxyoxolan-2-yl] acetate
SMILESCC[C@H]1OC(OC(C)=O)[C@H](O)C1(F)F
InChIInChI=1S/C8H12F2O4/c1-3-5-8(9,10)6(12)7(14-5)13-4(2)11/h5-7,12H,3H2,1-2H3/t5-,6+,7?/m1/s1
InChIKeyTXNJTVKUOFJYIS-JEAXJGTLSA-N
MW210.18 g/mol
LogP0.68
Rot. Bonds2

About [(3S,5R)-5-ethyl-4,4-difluoro-3-hydroxyoxolan-2-yl] acetate

[(3S,5R)-5-ethyl-4,4-difluoro-3-hydroxyoxolan-2-yl] acetate (PubChem CID 126585094) has the molecular formula C8H12F2O4 and a molecular weight of 210.18 g/mol. Its IUPAC name is [(3S,5R)-5-ethyl-4,4-difluoro-3-hydroxyoxolan-2-yl] acetate.

Molecular Properties

Compound Name[(3S,5R)-5-ethyl-4,4-difluoro-3-hydroxyoxolan-2-yl] acetate
PubChem CID126585094
Molecular FormulaC8H12F2O4
Molecular Weight210.18 g/mol
Exact Mass210.07
IUPAC Name[(3S,5R)-5-ethyl-4,4-difluoro-3-hydroxyoxolan-2-yl] acetate
SMILESCC[C@H]1OC(OC(C)=O)[C@H](O)C1(F)F
InChIInChI=1S/C8H12F2O4/c1-3-5-8(9,10)6(12)7(14-5)13-4(2)11/h5-7,12H,3H2,1-2H3/t5-,6+,7?/m1/s1
InChIKeyTXNJTVKUOFJYIS-JEAXJGTLSA-N
XLogP0.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S,5R)-5-ethyl-4,4-difluoro-3-hydroxyoxolan-2-yl] acetate 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

CID 157194320
CID 157194320
[(2R,3S)-5-acetyloxy-2-ethyl-4-fluorooxolan-3-yl] acetate
CID 58049083
(6-ethyl-3-(18F)fluoro-4,5-dimethyloxan-2-yl) acetate
CID 71289777
[(2R,4R,5S,6R)-6-acetyloxy-3,3,5-trifluoro-2-(phenylmethoxymethyl)oxan-4-yl] acetate
CID 54763133
[(3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-(trifluoromethyl)oxolan-2-yl] acetate
CID 118596255
[(2S,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-4-methyloxolan-2-yl] acetate
CID 122450193
[(2S,5S)-2,3,5,6-tetraacetyloxyoxan-4-yl] acetate
CID 134940268
[(2R,3R,4S,5S,6R)-4,5,6-triacetyloxy-2-(2-bromoethyl)oxan-3-yl] acetate
CID 167491583
[(2R,3S,4S,5S)-5,6-diacetyloxy-3-hydroxy-2-(hydroxymethyl)-2-methyloxan-4-yl] acetate
CID 90443543
[(2S,3R,4R)-4-acetyloxy-5,5-difluoro-6-hydroxy-2-methyloxan-3-yl] acetate
CID 11482550
[(2R,3R,4R,5S)-4,5-diacetyloxy-3-methoxy-3-methyloxolan-2-yl]methyl acetate
CID 70667370
[(2R,3S,4R,5R,6S)-4,5,6-triacetyloxy-3-acetylperoxy-3-hydroxyoxan-2-yl]methyl acetate
CID 132917873

Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-5-ethyl-4,4-difluoro-3-hydroxyoxolan-2-yl] acetate?
The IUPAC name of [(3S,5R)-5-ethyl-4,4-difluoro-3-hydroxyoxolan-2-yl] acetate (CID 126585094) is [(3S,5R)-5-ethyl-4,4-difluoro-3-hydroxyoxolan-2-yl] acetate.
What is the SMILES notation for [(3S,5R)-5-ethyl-4,4-difluoro-3-hydroxyoxolan-2-yl] acetate?
The canonical SMILES for [(3S,5R)-5-ethyl-4,4-difluoro-3-hydroxyoxolan-2-yl] acetate is CC[C@H]1OC(OC(C)=O)[C@H](O)C1(F)F.
What is the InChIKey of [(3S,5R)-5-ethyl-4,4-difluoro-3-hydroxyoxolan-2-yl] acetate?
The InChIKey is TXNJTVKUOFJYIS-JEAXJGTLSA-N. The full InChI is InChI=1S/C8H12F2O4/c1-3-5-8(9,10)6(12)7(14-5)13-4(2)11/h5-7,12H,3H2,1-2H3/t5-,6+,7?/m1/s1.
What are the key properties of [(3S,5R)-5-ethyl-4,4-difluoro-3-hydroxyoxolan-2-yl] acetate?
[(3S,5R)-5-ethyl-4,4-difluoro-3-hydroxyoxolan-2-yl] acetate has a molecular weight of 210.18 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-5-ethyl-4,4-difluoro-3-hydroxyoxolan-2-yl] acetate is sourced from PubChem (CID 126585094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).