(2R,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-4-methyloxolan-2-ol

C8H14F2O2 — CID 122450194

IUPAC(2R,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-4-methyloxolan-2-ol
SMILESCC[C@H]1O[C@@H](O)C(F)(CF)[C@H]1C
InChIInChI=1S/C8H14F2O2/c1-3-6-5(2)8(10,4-9)7(11)12-6/h5-7,11H,3-4H2,1-2H3/t5-,6+,7+,8?/m0/s1
InChIKeyJHQSDXCZHXOYSX-FWYCZPIQSA-N
MW180.19 g/mol
LogP1.43
Rot. Bonds2

About (2R,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-4-methyloxolan-2-ol

(2R,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-4-methyloxolan-2-ol (PubChem CID 122450194) has the molecular formula C8H14F2O2 and a molecular weight of 180.19 g/mol. Its IUPAC name is (2R,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-4-methyloxolan-2-ol.

Molecular Properties

Compound Name(2R,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-4-methyloxolan-2-ol
PubChem CID122450194
Molecular FormulaC8H14F2O2
Molecular Weight180.19 g/mol
Exact Mass180.10
IUPAC Name(2R,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-4-methyloxolan-2-ol
SMILESCC[C@H]1O[C@@H](O)C(F)(CF)[C@H]1C
InChIInChI=1S/C8H14F2O2/c1-3-6-5(2)8(10,4-9)7(11)12-6/h5-7,11H,3-4H2,1-2H3/t5-,6+,7+,8?/m0/s1
InChIKeyJHQSDXCZHXOYSX-FWYCZPIQSA-N
XLogP1.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-4-methyloxolan-2-ol 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 (2R,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-4-methyloxolan-2-ol?
The IUPAC name of (2R,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-4-methyloxolan-2-ol (CID 122450194) is (2R,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-4-methyloxolan-2-ol.
What is the SMILES notation for (2R,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-4-methyloxolan-2-ol?
The canonical SMILES for (2R,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-4-methyloxolan-2-ol is CC[C@H]1O[C@@H](O)C(F)(CF)[C@H]1C.
What is the InChIKey of (2R,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-4-methyloxolan-2-ol?
The InChIKey is JHQSDXCZHXOYSX-FWYCZPIQSA-N. The full InChI is InChI=1S/C8H14F2O2/c1-3-6-5(2)8(10,4-9)7(11)12-6/h5-7,11H,3-4H2,1-2H3/t5-,6+,7+,8?/m0/s1.
What are the key properties of (2R,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-4-methyloxolan-2-ol?
(2R,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-4-methyloxolan-2-ol has a molecular weight of 180.19 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-5-ethyl-3-fluoro-3-(fluoromethyl)-4-methyloxolan-2-ol is sourced from PubChem (CID 122450194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).