2,2-difluoro-4-methylthiolane

C5H8F2S — CID 66729890

IUPAC2,2-difluoro-4-methylthiolane
SMILESCC1CSC(F)(F)C1
InChIInChI=1S/C5H8F2S/c1-4-2-5(6,7)8-3-4/h4H,2-3H2,1H3
InChIKeyJYFUGNDRKKIMKX-UHFFFAOYSA-N
MW138.18 g/mol
LogP2.35
Rot. Bonds

About 2,2-difluoro-4-methylthiolane

2,2-difluoro-4-methylthiolane (PubChem CID 66729890) has the molecular formula C5H8F2S and a molecular weight of 138.18 g/mol. Its IUPAC name is 2,2-difluoro-4-methylthiolane.

Molecular Properties

Compound Name2,2-difluoro-4-methylthiolane
PubChem CID66729890
Molecular FormulaC5H8F2S
Molecular Weight138.18 g/mol
Exact Mass138.03
IUPAC Name2,2-difluoro-4-methylthiolane
SMILESCC1CSC(F)(F)C1
InChIInChI=1S/C5H8F2S/c1-4-2-5(6,7)8-3-4/h4H,2-3H2,1H3
InChIKeyJYFUGNDRKKIMKX-UHFFFAOYSA-N
XLogP2.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.18
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2-difluoro-4-methylthiolane 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 2,2-difluoro-4-methylthiolane?
The IUPAC name of 2,2-difluoro-4-methylthiolane (CID 66729890) is 2,2-difluoro-4-methylthiolane.
What is the SMILES notation for 2,2-difluoro-4-methylthiolane?
The canonical SMILES for 2,2-difluoro-4-methylthiolane is CC1CSC(F)(F)C1.
What is the InChIKey of 2,2-difluoro-4-methylthiolane?
The InChIKey is JYFUGNDRKKIMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2S/c1-4-2-5(6,7)8-3-4/h4H,2-3H2,1H3.
What are the key properties of 2,2-difluoro-4-methylthiolane?
2,2-difluoro-4-methylthiolane has a molecular weight of 138.18 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-methylthiolane is sourced from PubChem (CID 66729890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).