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

C5H6F4O2S — CID 87128380

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

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

2,3,4-trifluoro-3-(fluoromethyl)thiolane 1,1-dioxide (PubChem CID 87128380) has the molecular formula C5H6F4O2S and a molecular weight of 206.16 g/mol. Its IUPAC name is 2,3,4-trifluoro-3-(fluoromethyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2,3,4-trifluoro-3-(fluoromethyl)thiolane 1,1-dioxide
PubChem CID87128380
Molecular FormulaC5H6F4O2S
Molecular Weight206.16 g/mol
Exact Mass206.00
IUPAC Name2,3,4-trifluoro-3-(fluoromethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CC(F)C(F)(CF)C1F
InChIInChI=1S/C5H6F4O2S/c6-2-5(9)3(7)1-12(10,11)4(5)8/h3-4H,1-2H2
InChIKeyXJFDSBYQBKWXCA-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

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Related Compounds

2,3,4-trifluoro-4-(fluoromethyl)thiolane 1,1-dioxide
CID 87128598
2,2,4-trifluoro-3-methylthiolane 1,1-dioxide
CID 66729999
2,2,3,3-tetrabutyl-4-fluorothiolane 1,1-dioxide
CID 54541384
2-fluoro-2-methylthiolane 1,1-dioxide;2-fluoro-4-methylthiolane 1,1-dioxide
CID 157288863
2,3-dibromo-4-fluorothiolane 1,1-dioxide
CID 15468464
1-chloro-1,2-difluorocyclopropane
CID 69232639
[4-(2-fluoroethyl)-1,1-dioxothiolan-3-yl]methanamine
CID 115020252
1,2-difluorocyclopropane-1-carbaldehyde
CID 91436166
8-fluoro-8-methyl-6λ6-thia-3-azabicyclo[3.2.1]octane 6,6-dioxide
CID 105446953
4,9-difluoro-1,3,6-trioxa-2λ6,7λ6-dithiaspiro[4.4]nonane 2,2,7,7-tetraoxide
CID 130334798
4-(difluoromethyl)-2,2,3,4,5-pentafluorothiolane 1,1-dioxide
CID 87128603
(3R,5S)-1,1-dioxo-5-(trifluoromethyl)thiolan-3-amine
CID 170914011

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-3-(fluoromethyl)thiolane 1,1-dioxide?
The IUPAC name of 2,3,4-trifluoro-3-(fluoromethyl)thiolane 1,1-dioxide (CID 87128380) is 2,3,4-trifluoro-3-(fluoromethyl)thiolane 1,1-dioxide.
What is the SMILES notation for 2,3,4-trifluoro-3-(fluoromethyl)thiolane 1,1-dioxide?
The canonical SMILES for 2,3,4-trifluoro-3-(fluoromethyl)thiolane 1,1-dioxide is O=S1(=O)CC(F)C(F)(CF)C1F.
What is the InChIKey of 2,3,4-trifluoro-3-(fluoromethyl)thiolane 1,1-dioxide?
The InChIKey is XJFDSBYQBKWXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4O2S/c6-2-5(9)3(7)1-12(10,11)4(5)8/h3-4H,1-2H2.
What are the key properties of 2,3,4-trifluoro-3-(fluoromethyl)thiolane 1,1-dioxide?
2,3,4-trifluoro-3-(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-3-(fluoromethyl)thiolane 1,1-dioxide is sourced from PubChem (CID 87128380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).