2,2,4-trifluorothiolane 1,1-dioxide

C4H5F3O2S — CID 59228904

IUPAC2,2,4-trifluorothiolane 1,1-dioxide
SMILESO=S1(=O)CC(F)CC1(F)F
InChIInChI=1S/C4H5F3O2S/c5-3-1-4(6,7)10(8,9)2-3/h3H,1-2H2
InChIKeyUFEMWGXPOKHXAQ-UHFFFAOYSA-N
MW174.14 g/mol
LogP0.74
Rot. Bonds

About 2,2,4-trifluorothiolane 1,1-dioxide

2,2,4-trifluorothiolane 1,1-dioxide (PubChem CID 59228904) has the molecular formula C4H5F3O2S and a molecular weight of 174.14 g/mol. Its IUPAC name is 2,2,4-trifluorothiolane 1,1-dioxide.

Molecular Properties

Compound Name2,2,4-trifluorothiolane 1,1-dioxide
PubChem CID59228904
Molecular FormulaC4H5F3O2S
Molecular Weight174.14 g/mol
Exact Mass174.00
IUPAC Name2,2,4-trifluorothiolane 1,1-dioxide
SMILESO=S1(=O)CC(F)CC1(F)F
InChIInChI=1S/C4H5F3O2S/c5-3-1-4(6,7)10(8,9)2-3/h3H,1-2H2
InChIKeyUFEMWGXPOKHXAQ-UHFFFAOYSA-N
XLogP0.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.14
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,4-trifluorothiolane 1,1-dioxide 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

1,1,2,2-Tetrafluoro-3-(2,2,3,3-tetrafluoropropylsulfonyl)propane
CID 132839263
Trifluoromethyl propyl sulfone
CID 54326780
3-(Trifluoromethyl)tetrahydrothiophene 1,1-dioxide
CID 67291233
1,1,1-Trifluoro-3-(methanesulfonyl)propane
CID 71356948
Tetrafluoro-propyl sulfone
CID 87624456
(3S,4R)-3,4-difluorothiolane 1,1-dioxide
CID 100930637
3,4-Difluorothiolane 1,1-dioxide
CID 14613666
(3R,4R)-3,4-difluorothiolane 1,1-dioxide
CID 14613667
(3S)-3-(trifluoromethyl)thiolane 1,1-dioxide
CID 162403181
1,1,1-trifluoro-N-(1-oxothiolan-1-ylidene)methanesulfonamide
CID 177855019
Thiophene, 3-fluorotetrahydro-, 1,1-dioxide
CID 11171005
Thiophene, 3,3-difluorotetrahydro-, 1,1-dioxide
CID 11240618

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trifluorothiolane 1,1-dioxide?
The IUPAC name of 2,2,4-trifluorothiolane 1,1-dioxide (CID 59228904) is 2,2,4-trifluorothiolane 1,1-dioxide.
What is the SMILES notation for 2,2,4-trifluorothiolane 1,1-dioxide?
The canonical SMILES for 2,2,4-trifluorothiolane 1,1-dioxide is O=S1(=O)CC(F)CC1(F)F.
What is the InChIKey of 2,2,4-trifluorothiolane 1,1-dioxide?
The InChIKey is UFEMWGXPOKHXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O2S/c5-3-1-4(6,7)10(8,9)2-3/h3H,1-2H2.
What are the key properties of 2,2,4-trifluorothiolane 1,1-dioxide?
2,2,4-trifluorothiolane 1,1-dioxide has a molecular weight of 174.14 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trifluorothiolane 1,1-dioxide is sourced from PubChem (CID 59228904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).