2,3,5-trifluoro-3-methylthiolane

C5H7F3S — CID 66729862

IUPAC2,3,5-trifluoro-3-methylthiolane
SMILESCC1(F)CC(F)SC1F
InChIInChI=1S/C5H7F3S/c1-5(8)2-3(6)9-4(5)7/h3-4H,2H2,1H3
InChIKeyLOCSGUIJQKORIM-UHFFFAOYSA-N
MW156.17 g/mol
LogP2.44
Rot. Bonds

About 2,3,5-trifluoro-3-methylthiolane

2,3,5-trifluoro-3-methylthiolane (PubChem CID 66729862) has the molecular formula C5H7F3S and a molecular weight of 156.17 g/mol. Its IUPAC name is 2,3,5-trifluoro-3-methylthiolane.

Molecular Properties

Compound Name2,3,5-trifluoro-3-methylthiolane
PubChem CID66729862
Molecular FormulaC5H7F3S
Molecular Weight156.17 g/mol
Exact Mass156.02
IUPAC Name2,3,5-trifluoro-3-methylthiolane
SMILESCC1(F)CC(F)SC1F
InChIInChI=1S/C5H7F3S/c1-5(8)2-3(6)9-4(5)7/h3-4H,2H2,1H3
InChIKeyLOCSGUIJQKORIM-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.17
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,5-trifluoro-3-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 2,3,5-trifluoro-3-methylthiolane?
The IUPAC name of 2,3,5-trifluoro-3-methylthiolane (CID 66729862) is 2,3,5-trifluoro-3-methylthiolane.
What is the SMILES notation for 2,3,5-trifluoro-3-methylthiolane?
The canonical SMILES for 2,3,5-trifluoro-3-methylthiolane is CC1(F)CC(F)SC1F.
What is the InChIKey of 2,3,5-trifluoro-3-methylthiolane?
The InChIKey is LOCSGUIJQKORIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3S/c1-5(8)2-3(6)9-4(5)7/h3-4H,2H2,1H3.
What are the key properties of 2,3,5-trifluoro-3-methylthiolane?
2,3,5-trifluoro-3-methylthiolane has a molecular weight of 156.17 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-3-methylthiolane is sourced from PubChem (CID 66729862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).