2-chloro-2,4,4-trifluoro-1,3-dithietane 1,1-dioxide

C2ClF3O2S2 — CID 14115367

IUPAC2-chloro-2,4,4-trifluoro-1,3-dithietane 1,1-dioxide
SMILESO=S1(=O)C(F)(F)SC1(F)Cl
InChIInChI=1S/C2ClF3O2S2/c3-1(4)9-2(5,6)10(1,7)8
InChIKeyUWDAWDURGLWGKB-UHFFFAOYSA-N
MW212.60 g/mol
LogP1.52
Rot. Bonds

About 2-chloro-2,4,4-trifluoro-1,3-dithietane 1,1-dioxide

2-chloro-2,4,4-trifluoro-1,3-dithietane 1,1-dioxide (PubChem CID 14115367) has the molecular formula C2ClF3O2S2 and a molecular weight of 212.60 g/mol. Its IUPAC name is 2-chloro-2,4,4-trifluoro-1,3-dithietane 1,1-dioxide.

Molecular Properties

Compound Name2-chloro-2,4,4-trifluoro-1,3-dithietane 1,1-dioxide
PubChem CID14115367
Molecular FormulaC2ClF3O2S2
Molecular Weight212.60 g/mol
Exact Mass211.90
IUPAC Name2-chloro-2,4,4-trifluoro-1,3-dithietane 1,1-dioxide
SMILESO=S1(=O)C(F)(F)SC1(F)Cl
InChIInChI=1S/C2ClF3O2S2/c3-1(4)9-2(5,6)10(1,7)8
InChIKeyUWDAWDURGLWGKB-UHFFFAOYSA-N
XLogP1.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.60
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-2,4,4-trifluoro-1,3-dithietane 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

4-chloro-4,5,5-trifluoro-1,3,2-dioxathiolane 2,2-dioxide
CID 158657256
(3-chloro-4,4-difluoro-2,2-dioxooxathietan-3-yl)-pentafluoro-lambda6-sulfane
CID 15717517
1-chloro-1,2,2,3,3-pentafluorocyclopropane
CID 23233207
2,2,4,4,5,5-hexafluoro-1,3-oxathiolane 3,3-dioxide
CID 23234533
1,2,3,4-tetrachloro-7λ6-thiabicyclo[2.2.1]hept-2-ene 7,7-dioxide
CID 45128012
2,2,3,3,5,5-hexafluorothiolane 1,1-dioxide
CID 87128473
3-chloro-2,2,3,4,4-pentafluorocyclobutan-1-one
CID 160731078
lithium 4,4,5,5-tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclopentane 1,1,3,3-tetraoxide
CID 14123337
3,3-dichloro-2,2,4,4-tetrafluorocyclobutan-1-one
CID 154123146
1-chloro-1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptane
CID 139815776
2,2,3,3,4,4,5,5-octafluorothiolane
CID 12705729
1,1-dichloro-2,2-difluorocyclopropane
CID 12637093

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,4,4-trifluoro-1,3-dithietane 1,1-dioxide?
The IUPAC name of 2-chloro-2,4,4-trifluoro-1,3-dithietane 1,1-dioxide (CID 14115367) is 2-chloro-2,4,4-trifluoro-1,3-dithietane 1,1-dioxide.
What is the SMILES notation for 2-chloro-2,4,4-trifluoro-1,3-dithietane 1,1-dioxide?
The canonical SMILES for 2-chloro-2,4,4-trifluoro-1,3-dithietane 1,1-dioxide is O=S1(=O)C(F)(F)SC1(F)Cl.
What is the InChIKey of 2-chloro-2,4,4-trifluoro-1,3-dithietane 1,1-dioxide?
The InChIKey is UWDAWDURGLWGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2ClF3O2S2/c3-1(4)9-2(5,6)10(1,7)8.
What are the key properties of 2-chloro-2,4,4-trifluoro-1,3-dithietane 1,1-dioxide?
2-chloro-2,4,4-trifluoro-1,3-dithietane 1,1-dioxide has a molecular weight of 212.60 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,4,4-trifluoro-1,3-dithietane 1,1-dioxide is sourced from PubChem (CID 14115367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).