(4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol

C7H12F2O2 — CID 58364672

IUPAC(4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol
SMILESCC[C@H]1OC(O)C(F)(F)[C@@H]1C
InChIInChI=1S/C7H12F2O2/c1-3-5-4(2)7(8,9)6(10)11-5/h4-6,10H,3H2,1-2H3/t4-,5-,6?/m1/s1
InChIKeyJBYPGQOIWXGUSY-QYRBDRAASA-N
MW166.17 g/mol
LogP1.38
Rot. Bonds1

About (4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol

(4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol (PubChem CID 58364672) has the molecular formula C7H12F2O2 and a molecular weight of 166.17 g/mol. Its IUPAC name is (4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol.

Molecular Properties

Compound Name(4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol
PubChem CID58364672
Molecular FormulaC7H12F2O2
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name(4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol
SMILESCC[C@H]1OC(O)C(F)(F)[C@@H]1C
InChIInChI=1S/C7H12F2O2/c1-3-5-4(2)7(8,9)6(10)11-5/h4-6,10H,3H2,1-2H3/t4-,5-,6?/m1/s1
InChIKeyJBYPGQOIWXGUSY-QYRBDRAASA-N
XLogP1.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R,5R)-5-ethyl-3,3-difluoro-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 (4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol?
The IUPAC name of (4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol (CID 58364672) is (4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol.
What is the SMILES notation for (4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol?
The canonical SMILES for (4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol is CC[C@H]1OC(O)C(F)(F)[C@@H]1C.
What is the InChIKey of (4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol?
The InChIKey is JBYPGQOIWXGUSY-QYRBDRAASA-N. The full InChI is InChI=1S/C7H12F2O2/c1-3-5-4(2)7(8,9)6(10)11-5/h4-6,10H,3H2,1-2H3/t4-,5-,6?/m1/s1.
What are the key properties of (4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol?
(4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol has a molecular weight of 166.17 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-ol is sourced from PubChem (CID 58364672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).