2,3,5-trifluoro-4-methylthiolane

C5H7F3S — CID 66729807

IUPAC2,3,5-trifluoro-4-methylthiolane
SMILESCC1C(F)SC(F)C1F
InChIInChI=1S/C5H7F3S/c1-2-3(6)5(8)9-4(2)7/h2-5H,1H3
InChIKeyMCQLMKFVENDCNN-UHFFFAOYSA-N
MW156.17 g/mol
LogP2.30
Rot. Bonds

About 2,3,5-trifluoro-4-methylthiolane

2,3,5-trifluoro-4-methylthiolane (PubChem CID 66729807) has the molecular formula C5H7F3S and a molecular weight of 156.17 g/mol. Its IUPAC name is 2,3,5-trifluoro-4-methylthiolane.

Molecular Properties

Compound Name2,3,5-trifluoro-4-methylthiolane
PubChem CID66729807
Molecular FormulaC5H7F3S
Molecular Weight156.17 g/mol
Exact Mass156.02
IUPAC Name2,3,5-trifluoro-4-methylthiolane
SMILESCC1C(F)SC(F)C1F
InChIInChI=1S/C5H7F3S/c1-2-3(6)5(8)9-4(2)7/h2-5H,1H3
InChIKeyMCQLMKFVENDCNN-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,5-trifluoro-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

Related Compounds

3-(Trifluoromethyl)thiolane
CID 54429721
2,2,3-Trifluoro-3-methylthiolane
CID 66729784
2,4-Difluoro-4-(fluoromethyl)thiolane
CID 66729796
4-(Difluoromethyl)-2,3,3-trifluorothiolane
CID 66729810
3,3-Difluoro-4-methylthiolane
CID 66729839
2,2,5-Trifluoro-3-methylthiolane
CID 66729844
2,2,3-Trifluoro-4-(fluoromethyl)thiolane
CID 66729846
3,3,4-Trifluoro-4-methylthiolane
CID 66729853
2,5-Difluoro-3-(fluoromethyl)thiolane
CID 66729859
2,3,5-Trifluoro-3-methylthiolane
CID 66729862
2,2,4,4-Tetrafluoro-3-methylthiolane
CID 66729864
3-Fluoro-4-(fluoromethyl)thiolane
CID 66729876

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trifluoro-4-methylthiolane?
The IUPAC name of 2,3,5-trifluoro-4-methylthiolane (CID 66729807) is 2,3,5-trifluoro-4-methylthiolane.
What is the SMILES notation for 2,3,5-trifluoro-4-methylthiolane?
The canonical SMILES for 2,3,5-trifluoro-4-methylthiolane is CC1C(F)SC(F)C1F.
What is the InChIKey of 2,3,5-trifluoro-4-methylthiolane?
The InChIKey is MCQLMKFVENDCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3S/c1-2-3(6)5(8)9-4(2)7/h2-5H,1H3.
What are the key properties of 2,3,5-trifluoro-4-methylthiolane?
2,3,5-trifluoro-4-methylthiolane has a molecular weight of 156.17 g/mol, XLogP of 2.30, 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-4-methylthiolane is sourced from PubChem (CID 66729807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).