(2S,3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2,4-dimethyloxolane

C8H14ClFO — CID 118180564

IUPAC(2S,3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2,4-dimethyloxolane
SMILESCC[C@H]1O[C@@H](C)[C@@](F)(Cl)[C@@H]1C
InChIInChI=1S/C8H14ClFO/c1-4-7-5(2)8(9,10)6(3)11-7/h5-7H,4H2,1-3H3/t5-,6+,7-,8-/m1/s1
InChIKeyWXDMOWAUOUKELN-ULAWRXDQSA-N
MW180.65 g/mol
LogP2.72
Rot. Bonds1

About (2S,3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2,4-dimethyloxolane

(2S,3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2,4-dimethyloxolane (PubChem CID 118180564) has the molecular formula C8H14ClFO and a molecular weight of 180.65 g/mol. Its IUPAC name is (2S,3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2,4-dimethyloxolane.

Molecular Properties

Compound Name(2S,3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2,4-dimethyloxolane
PubChem CID118180564
Molecular FormulaC8H14ClFO
Molecular Weight180.65 g/mol
Exact Mass180.07
IUPAC Name(2S,3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2,4-dimethyloxolane
SMILESCC[C@H]1O[C@@H](C)[C@@](F)(Cl)[C@@H]1C
InChIInChI=1S/C8H14ClFO/c1-4-7-5(2)8(9,10)6(3)11-7/h5-7H,4H2,1-3H3/t5-,6+,7-,8-/m1/s1
InChIKeyWXDMOWAUOUKELN-ULAWRXDQSA-N
XLogP2.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.65
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (2S,3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2,4-dimethyloxolane 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 (2S,3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2,4-dimethyloxolane?
The IUPAC name of (2S,3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2,4-dimethyloxolane (CID 118180564) is (2S,3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2,4-dimethyloxolane.
What is the SMILES notation for (2S,3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2,4-dimethyloxolane?
The canonical SMILES for (2S,3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2,4-dimethyloxolane is CC[C@H]1O[C@@H](C)[C@@](F)(Cl)[C@@H]1C.
What is the InChIKey of (2S,3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2,4-dimethyloxolane?
The InChIKey is WXDMOWAUOUKELN-ULAWRXDQSA-N. The full InChI is InChI=1S/C8H14ClFO/c1-4-7-5(2)8(9,10)6(3)11-7/h5-7H,4H2,1-3H3/t5-,6+,7-,8-/m1/s1.
What are the key properties of (2S,3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2,4-dimethyloxolane?
(2S,3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2,4-dimethyloxolane has a molecular weight of 180.65 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2,4-dimethyloxolane is sourced from PubChem (CID 118180564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).