2,3,4-trifluoro-4-(fluoromethyl)thiolane 1,1-dioxide

C5H6F4O2S — CID 87128598

IUPAC2,3,4-trifluoro-4-(fluoromethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CC(F)(CF)C(F)C1F
InChIInChI=1S/C5H6F4O2S/c6-1-5(9)2-12(10,11)4(8)3(5)7/h3-4H,1-2H2
InChIKeyGVUHRKNECWDETR-UHFFFAOYSA-N
MW206.16 g/mol
LogP0.73
Rot. Bonds1

About 2,3,4-trifluoro-4-(fluoromethyl)thiolane 1,1-dioxide

2,3,4-trifluoro-4-(fluoromethyl)thiolane 1,1-dioxide (PubChem CID 87128598) has the molecular formula C5H6F4O2S and a molecular weight of 206.16 g/mol. Its IUPAC name is 2,3,4-trifluoro-4-(fluoromethyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2,3,4-trifluoro-4-(fluoromethyl)thiolane 1,1-dioxide
PubChem CID87128598
Molecular FormulaC5H6F4O2S
Molecular Weight206.16 g/mol
Exact Mass206.00
IUPAC Name2,3,4-trifluoro-4-(fluoromethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CC(F)(CF)C(F)C1F
InChIInChI=1S/C5H6F4O2S/c6-1-5(9)2-12(10,11)4(8)3(5)7/h3-4H,1-2H2
InChIKeyGVUHRKNECWDETR-UHFFFAOYSA-N
XLogP0.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3,4-trifluoro-4-(fluoromethyl)thiolane 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

2,3,4-trifluoro-3-(fluoromethyl)thiolane 1,1-dioxide
CID 87128380
2,2,4-trifluoro-3-methylthiolane 1,1-dioxide
CID 66729999
4,4,5,6,7,7-hexafluoro-1,3,2-dioxathiepane
CID 89312221
2,2,3,4,5-pentafluoro-3-(fluoromethyl)thiolane
CID 87128729
3,3-difluoro-1-(fluoromethyl)cyclobutane-1-carboxylic acid
CID 118062622
(4-fluoro-1,1-dioxothian-4-yl)methanol
CID 126845686
ethane;3-(fluoromethyl)-1,4-dimethylpyrrolidine
CID 142151955
(1S)-1-ethyl-2-fluorocyclopropane-1-carboxylic acid
CID 155897633
2-fluoro-2-methylthiolane 1,1-dioxide;2-fluoro-4-methylthiolane 1,1-dioxide
CID 157288863
6-tert-butyl-6-fluoro-2λ6-thiaspiro[3.3]heptane 2,2-dioxide
CID 162475455
2,2,3,3-tetrabutyl-4-fluorothiolane 1,1-dioxide
CID 54541384
2-[(1R,2S)-2-fluorocyclopropyl]acetic acid
CID 162187891

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-4-(fluoromethyl)thiolane 1,1-dioxide?
The IUPAC name of 2,3,4-trifluoro-4-(fluoromethyl)thiolane 1,1-dioxide (CID 87128598) is 2,3,4-trifluoro-4-(fluoromethyl)thiolane 1,1-dioxide.
What is the SMILES notation for 2,3,4-trifluoro-4-(fluoromethyl)thiolane 1,1-dioxide?
The canonical SMILES for 2,3,4-trifluoro-4-(fluoromethyl)thiolane 1,1-dioxide is O=S1(=O)CC(F)(CF)C(F)C1F.
What is the InChIKey of 2,3,4-trifluoro-4-(fluoromethyl)thiolane 1,1-dioxide?
The InChIKey is GVUHRKNECWDETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4O2S/c6-1-5(9)2-12(10,11)4(8)3(5)7/h3-4H,1-2H2.
What are the key properties of 2,3,4-trifluoro-4-(fluoromethyl)thiolane 1,1-dioxide?
2,3,4-trifluoro-4-(fluoromethyl)thiolane 1,1-dioxide has a molecular weight of 206.16 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-4-(fluoromethyl)thiolane 1,1-dioxide is sourced from PubChem (CID 87128598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).