4-methyl-2-(trifluoromethyl)thiane 1,1-dioxide

C7H11F3O2S — CID 123696154

IUPAC4-methyl-2-(trifluoromethyl)thiane 1,1-dioxide
SMILESCC1CCS(=O)(=O)C(C(F)(F)F)C1
InChIInChI=1S/C7H11F3O2S/c1-5-2-3-13(11,12)6(4-5)7(8,9)10/h5-6H,2-4H2,1H3
InChIKeySCZVPKHKIYHGHM-UHFFFAOYSA-N
MW216.22 g/mol
LogP1.76
Rot. Bonds

About 4-methyl-2-(trifluoromethyl)thiane 1,1-dioxide

4-methyl-2-(trifluoromethyl)thiane 1,1-dioxide (PubChem CID 123696154) has the molecular formula C7H11F3O2S and a molecular weight of 216.22 g/mol. Its IUPAC name is 4-methyl-2-(trifluoromethyl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-methyl-2-(trifluoromethyl)thiane 1,1-dioxide
PubChem CID123696154
Molecular FormulaC7H11F3O2S
Molecular Weight216.22 g/mol
Exact Mass216.04
IUPAC Name4-methyl-2-(trifluoromethyl)thiane 1,1-dioxide
SMILESCC1CCS(=O)(=O)C(C(F)(F)F)C1
InChIInChI=1S/C7H11F3O2S/c1-5-2-3-13(11,12)6(4-5)7(8,9)10/h5-6H,2-4H2,1H3
InChIKeySCZVPKHKIYHGHM-UHFFFAOYSA-N
XLogP1.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(trifluoromethyl)thiane 1,1-dioxide?
The IUPAC name of 4-methyl-2-(trifluoromethyl)thiane 1,1-dioxide (CID 123696154) is 4-methyl-2-(trifluoromethyl)thiane 1,1-dioxide.
What is the SMILES notation for 4-methyl-2-(trifluoromethyl)thiane 1,1-dioxide?
The canonical SMILES for 4-methyl-2-(trifluoromethyl)thiane 1,1-dioxide is CC1CCS(=O)(=O)C(C(F)(F)F)C1.
What is the InChIKey of 4-methyl-2-(trifluoromethyl)thiane 1,1-dioxide?
The InChIKey is SCZVPKHKIYHGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2S/c1-5-2-3-13(11,12)6(4-5)7(8,9)10/h5-6H,2-4H2,1H3.
What are the key properties of 4-methyl-2-(trifluoromethyl)thiane 1,1-dioxide?
4-methyl-2-(trifluoromethyl)thiane 1,1-dioxide has a molecular weight of 216.22 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(trifluoromethyl)thiane 1,1-dioxide is sourced from PubChem (CID 123696154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).