2,2,4,5-tetrakis(trifluoromethyl)thiolane 1,1-dioxide

C8H4F12O2S — CID 162042783

IUPAC2,2,4,5-tetrakis(trifluoromethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)C(C(F)(F)F)C(C(F)(F)F)CC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4F12O2S/c9-5(10,11)2-1-4(7(15,16)17,8(18,19)20)23(21,22)3(2)6(12,13)14/h2-3H,1H2
InChIKeyYXMOLSSGRSWLSO-UHFFFAOYSA-N
MW392.16 g/mol
LogP3.78
Rot. Bonds

About 2,2,4,5-tetrakis(trifluoromethyl)thiolane 1,1-dioxide

2,2,4,5-tetrakis(trifluoromethyl)thiolane 1,1-dioxide (PubChem CID 162042783) has the molecular formula C8H4F12O2S and a molecular weight of 392.16 g/mol. Its IUPAC name is 2,2,4,5-tetrakis(trifluoromethyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2,2,4,5-tetrakis(trifluoromethyl)thiolane 1,1-dioxide
PubChem CID162042783
Molecular FormulaC8H4F12O2S
Molecular Weight392.16 g/mol
Exact Mass391.97
IUPAC Name2,2,4,5-tetrakis(trifluoromethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)C(C(F)(F)F)C(C(F)(F)F)CC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4F12O2S/c9-5(10,11)2-1-4(7(15,16)17,8(18,19)20)23(21,22)3(2)6(12,13)14/h2-3H,1H2
InChIKeyYXMOLSSGRSWLSO-UHFFFAOYSA-N
XLogP3.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.16
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,5-tetrakis(trifluoromethyl)thiolane 1,1-dioxide?
The IUPAC name of 2,2,4,5-tetrakis(trifluoromethyl)thiolane 1,1-dioxide (CID 162042783) is 2,2,4,5-tetrakis(trifluoromethyl)thiolane 1,1-dioxide.
What is the SMILES notation for 2,2,4,5-tetrakis(trifluoromethyl)thiolane 1,1-dioxide?
The canonical SMILES for 2,2,4,5-tetrakis(trifluoromethyl)thiolane 1,1-dioxide is O=S1(=O)C(C(F)(F)F)C(C(F)(F)F)CC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,4,5-tetrakis(trifluoromethyl)thiolane 1,1-dioxide?
The InChIKey is YXMOLSSGRSWLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F12O2S/c9-5(10,11)2-1-4(7(15,16)17,8(18,19)20)23(21,22)3(2)6(12,13)14/h2-3H,1H2.
What are the key properties of 2,2,4,5-tetrakis(trifluoromethyl)thiolane 1,1-dioxide?
2,2,4,5-tetrakis(trifluoromethyl)thiolane 1,1-dioxide has a molecular weight of 392.16 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,5-tetrakis(trifluoromethyl)thiolane 1,1-dioxide is sourced from PubChem (CID 162042783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).