2,2,4,5-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide

C10H6F14O4S2 — CID 174784959

IUPAC2,2,4,5-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)C(F)C(F)(C(F)(F)F)CC1(F)F.O=S1(=O)CC(F)(C(F)(F)F)C(F)(F)C1F
InChIInChI=1S/2C5H3F7O2S/c6-2-4(8,9)3(7,5(10,11)12)1-15(2,13)14;6-2-3(7,5(10,11)12)1-4(8,9)15(2,13)14/h2*2H,1H2
InChIKeyOJJRXFSVZMSKTL-UHFFFAOYSA-N
MW520.26 g/mol
LogP3.58
Rot. Bonds

About 2,2,4,5-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide

2,2,4,5-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide (PubChem CID 174784959) has the molecular formula C10H6F14O4S2 and a molecular weight of 520.26 g/mol. Its IUPAC name is 2,2,4,5-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2,2,4,5-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide
PubChem CID174784959
Molecular FormulaC10H6F14O4S2
Molecular Weight520.26 g/mol
Exact Mass519.95
IUPAC Name2,2,4,5-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)C(F)C(F)(C(F)(F)F)CC1(F)F.O=S1(=O)CC(F)(C(F)(F)F)C(F)(F)C1F
InChIInChI=1S/2C5H3F7O2S/c6-2-4(8,9)3(7,5(10,11)12)1-15(2,13)14;6-2-3(7,5(10,11)12)1-4(8,9)15(2,13)14/h2*2H,1H2
InChIKeyOJJRXFSVZMSKTL-UHFFFAOYSA-N
XLogP3.58
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.26
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,5-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide?
The IUPAC name of 2,2,4,5-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide (CID 174784959) is 2,2,4,5-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide.
What is the SMILES notation for 2,2,4,5-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide?
The canonical SMILES for 2,2,4,5-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide is O=S1(=O)C(F)C(F)(C(F)(F)F)CC1(F)F.O=S1(=O)CC(F)(C(F)(F)F)C(F)(F)C1F.
What is the InChIKey of 2,2,4,5-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide?
The InChIKey is OJJRXFSVZMSKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H3F7O2S/c6-2-4(8,9)3(7,5(10,11)12)1-15(2,13)14;6-2-3(7,5(10,11)12)1-4(8,9)15(2,13)14/h2*2H,1H2.
What are the key properties of 2,2,4,5-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide?
2,2,4,5-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide has a molecular weight of 520.26 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,5-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide is sourced from PubChem (CID 174784959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).