(4S,5S)-5-ethyl-3,3-difluoro-4-methylthiolan-2-ol

C7H12F2OS — CID 118119213

IUPAC(4S,5S)-5-ethyl-3,3-difluoro-4-methylthiolan-2-ol
SMILESCC[C@@H]1SC(O)C(F)(F)[C@@H]1C
InChIInChI=1S/C7H12F2OS/c1-3-5-4(2)7(8,9)6(10)11-5/h4-6,10H,3H2,1-2H3/t4-,5+,6?/m1/s1
InChIKeyLFXNAYQHLKTXMT-XSYQQOMZSA-N
MW182.23 g/mol
LogP2.10
Rot. Bonds1

About (4S,5S)-5-ethyl-3,3-difluoro-4-methylthiolan-2-ol

(4S,5S)-5-ethyl-3,3-difluoro-4-methylthiolan-2-ol (PubChem CID 118119213) has the molecular formula C7H12F2OS and a molecular weight of 182.23 g/mol. Its IUPAC name is (4S,5S)-5-ethyl-3,3-difluoro-4-methylthiolan-2-ol.

Molecular Properties

Compound Name(4S,5S)-5-ethyl-3,3-difluoro-4-methylthiolan-2-ol
PubChem CID118119213
Molecular FormulaC7H12F2OS
Molecular Weight182.23 g/mol
Exact Mass182.06
IUPAC Name(4S,5S)-5-ethyl-3,3-difluoro-4-methylthiolan-2-ol
SMILESCC[C@@H]1SC(O)C(F)(F)[C@@H]1C
InChIInChI=1S/C7H12F2OS/c1-3-5-4(2)7(8,9)6(10)11-5/h4-6,10H,3H2,1-2H3/t4-,5+,6?/m1/s1
InChIKeyLFXNAYQHLKTXMT-XSYQQOMZSA-N
XLogP2.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S,5S)-5-ethyl-3,3-difluoro-4-methylthiolan-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 (4S,5S)-5-ethyl-3,3-difluoro-4-methylthiolan-2-ol?
The IUPAC name of (4S,5S)-5-ethyl-3,3-difluoro-4-methylthiolan-2-ol (CID 118119213) is (4S,5S)-5-ethyl-3,3-difluoro-4-methylthiolan-2-ol.
What is the SMILES notation for (4S,5S)-5-ethyl-3,3-difluoro-4-methylthiolan-2-ol?
The canonical SMILES for (4S,5S)-5-ethyl-3,3-difluoro-4-methylthiolan-2-ol is CC[C@@H]1SC(O)C(F)(F)[C@@H]1C.
What is the InChIKey of (4S,5S)-5-ethyl-3,3-difluoro-4-methylthiolan-2-ol?
The InChIKey is LFXNAYQHLKTXMT-XSYQQOMZSA-N. The full InChI is InChI=1S/C7H12F2OS/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 (4S,5S)-5-ethyl-3,3-difluoro-4-methylthiolan-2-ol?
(4S,5S)-5-ethyl-3,3-difluoro-4-methylthiolan-2-ol has a molecular weight of 182.23 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-ethyl-3,3-difluoro-4-methylthiolan-2-ol is sourced from PubChem (CID 118119213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).