(3R,4R)-5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one

C8H13FO3 — CID 134861086

IUPAC(3R,4R)-5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one
SMILESCCC1(CC)OC(=O)[C@H](F)[C@@H]1O
InChIInChI=1S/C8H13FO3/c1-3-8(4-2)6(10)5(9)7(11)12-8/h5-6,10H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyRABQPNOQZOXARZ-RITPCOANSA-N
MW176.19 g/mol
LogP0.80
Rot. Bonds2

About (3R,4R)-5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one

(3R,4R)-5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one (PubChem CID 134861086) has the molecular formula C8H13FO3 and a molecular weight of 176.19 g/mol. Its IUPAC name is (3R,4R)-5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one.

Molecular Properties

Compound Name(3R,4R)-5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one
PubChem CID134861086
Molecular FormulaC8H13FO3
Molecular Weight176.19 g/mol
Exact Mass176.08
IUPAC Name(3R,4R)-5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one
SMILESCCC1(CC)OC(=O)[C@H](F)[C@@H]1O
InChIInChI=1S/C8H13FO3/c1-3-8(4-2)6(10)5(9)7(11)12-8/h5-6,10H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyRABQPNOQZOXARZ-RITPCOANSA-N
XLogP0.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one 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 (3R,4R)-5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one?
The IUPAC name of (3R,4R)-5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one (CID 134861086) is (3R,4R)-5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one.
What is the SMILES notation for (3R,4R)-5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one?
The canonical SMILES for (3R,4R)-5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one is CCC1(CC)OC(=O)[C@H](F)[C@@H]1O.
What is the InChIKey of (3R,4R)-5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one?
The InChIKey is RABQPNOQZOXARZ-RITPCOANSA-N. The full InChI is InChI=1S/C8H13FO3/c1-3-8(4-2)6(10)5(9)7(11)12-8/h5-6,10H,3-4H2,1-2H3/t5-,6+/m1/s1.
What are the key properties of (3R,4R)-5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one?
(3R,4R)-5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one has a molecular weight of 176.19 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-5,5-diethyl-3-fluoro-4-hydroxyoxolan-2-one is sourced from PubChem (CID 134861086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).