2,2,3-trifluoro-3-(trifluoromethyl)thiolane 1,1-dioxide

C5H4F6O2S — CID 87128772

IUPAC2,2,3-trifluoro-3-(trifluoromethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C5H4F6O2S/c6-3(4(7,8)9)1-2-14(12,13)5(3,10)11/h1-2H2
InChIKeyIVQQNRGTILMJHF-UHFFFAOYSA-N
MW242.14 g/mol
LogP1.67
Rot. Bonds

About 2,2,3-trifluoro-3-(trifluoromethyl)thiolane 1,1-dioxide

2,2,3-trifluoro-3-(trifluoromethyl)thiolane 1,1-dioxide (PubChem CID 87128772) has the molecular formula C5H4F6O2S and a molecular weight of 242.14 g/mol. Its IUPAC name is 2,2,3-trifluoro-3-(trifluoromethyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2,2,3-trifluoro-3-(trifluoromethyl)thiolane 1,1-dioxide
PubChem CID87128772
Molecular FormulaC5H4F6O2S
Molecular Weight242.14 g/mol
Exact Mass241.98
IUPAC Name2,2,3-trifluoro-3-(trifluoromethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C5H4F6O2S/c6-3(4(7,8)9)1-2-14(12,13)5(3,10)11/h1-2H2
InChIKeyIVQQNRGTILMJHF-UHFFFAOYSA-N
XLogP1.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.14
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-3-(trifluoromethyl)thiolane 1,1-dioxide?
The IUPAC name of 2,2,3-trifluoro-3-(trifluoromethyl)thiolane 1,1-dioxide (CID 87128772) is 2,2,3-trifluoro-3-(trifluoromethyl)thiolane 1,1-dioxide.
What is the SMILES notation for 2,2,3-trifluoro-3-(trifluoromethyl)thiolane 1,1-dioxide?
The canonical SMILES for 2,2,3-trifluoro-3-(trifluoromethyl)thiolane 1,1-dioxide is O=S1(=O)CCC(F)(C(F)(F)F)C1(F)F.
What is the InChIKey of 2,2,3-trifluoro-3-(trifluoromethyl)thiolane 1,1-dioxide?
The InChIKey is IVQQNRGTILMJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6O2S/c6-3(4(7,8)9)1-2-14(12,13)5(3,10)11/h1-2H2.
What are the key properties of 2,2,3-trifluoro-3-(trifluoromethyl)thiolane 1,1-dioxide?
2,2,3-trifluoro-3-(trifluoromethyl)thiolane 1,1-dioxide has a molecular weight of 242.14 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-3-(trifluoromethyl)thiolane 1,1-dioxide is sourced from PubChem (CID 87128772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).