2,4-bis(trifluoromethyl)thiolane 1,1-dioxide

C6H6F6O2S — CID 87341196

IUPAC2,4-bis(trifluoromethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CC(C(F)(F)F)CC1C(F)(F)F
InChIInChI=1S/C6H6F6O2S/c7-5(8,9)3-1-4(6(10,11)12)15(13,14)2-3/h3-4H,1-2H2
InChIKeyKDSYOQSEPBUOJI-UHFFFAOYSA-N
MW256.17 g/mol
LogP1.91
Rot. Bonds

About 2,4-bis(trifluoromethyl)thiolane 1,1-dioxide

2,4-bis(trifluoromethyl)thiolane 1,1-dioxide (PubChem CID 87341196) has the molecular formula C6H6F6O2S and a molecular weight of 256.17 g/mol. Its IUPAC name is 2,4-bis(trifluoromethyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2,4-bis(trifluoromethyl)thiolane 1,1-dioxide
PubChem CID87341196
Molecular FormulaC6H6F6O2S
Molecular Weight256.17 g/mol
Exact Mass256.00
IUPAC Name2,4-bis(trifluoromethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CC(C(F)(F)F)CC1C(F)(F)F
InChIInChI=1S/C6H6F6O2S/c7-5(8,9)3-1-4(6(10,11)12)15(13,14)2-3/h3-4H,1-2H2
InChIKeyKDSYOQSEPBUOJI-UHFFFAOYSA-N
XLogP1.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.17
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(trifluoromethyl)thiolane 1,1-dioxide?
The IUPAC name of 2,4-bis(trifluoromethyl)thiolane 1,1-dioxide (CID 87341196) is 2,4-bis(trifluoromethyl)thiolane 1,1-dioxide.
What is the SMILES notation for 2,4-bis(trifluoromethyl)thiolane 1,1-dioxide?
The canonical SMILES for 2,4-bis(trifluoromethyl)thiolane 1,1-dioxide is O=S1(=O)CC(C(F)(F)F)CC1C(F)(F)F.
What is the InChIKey of 2,4-bis(trifluoromethyl)thiolane 1,1-dioxide?
The InChIKey is KDSYOQSEPBUOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O2S/c7-5(8,9)3-1-4(6(10,11)12)15(13,14)2-3/h3-4H,1-2H2.
What are the key properties of 2,4-bis(trifluoromethyl)thiolane 1,1-dioxide?
2,4-bis(trifluoromethyl)thiolane 1,1-dioxide has a molecular weight of 256.17 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(trifluoromethyl)thiolane 1,1-dioxide is sourced from PubChem (CID 87341196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).