5,5-difluoro-4,4,6-trimethylthiazinane 1,1-dioxide

C7H13F2NO2S — CID 126553242

IUPAC5,5-difluoro-4,4,6-trimethylthiazinane 1,1-dioxide
SMILESCC1C(F)(F)C(C)(C)CNS1(=O)=O
InChIInChI=1S/C7H13F2NO2S/c1-5-7(8,9)6(2,3)4-10-13(5,11)12/h5,10H,4H2,1-3H3
InChIKeyYMARQEALTZAOLR-UHFFFAOYSA-N
MW213.25 g/mol
LogP0.97
Rot. Bonds

About 5,5-difluoro-4,4,6-trimethylthiazinane 1,1-dioxide

5,5-difluoro-4,4,6-trimethylthiazinane 1,1-dioxide (PubChem CID 126553242) has the molecular formula C7H13F2NO2S and a molecular weight of 213.25 g/mol. Its IUPAC name is 5,5-difluoro-4,4,6-trimethylthiazinane 1,1-dioxide.

Molecular Properties

Compound Name5,5-difluoro-4,4,6-trimethylthiazinane 1,1-dioxide
PubChem CID126553242
Molecular FormulaC7H13F2NO2S
Molecular Weight213.25 g/mol
Exact Mass213.06
IUPAC Name5,5-difluoro-4,4,6-trimethylthiazinane 1,1-dioxide
SMILESCC1C(F)(F)C(C)(C)CNS1(=O)=O
InChIInChI=1S/C7H13F2NO2S/c1-5-7(8,9)6(2,3)4-10-13(5,11)12/h5,10H,4H2,1-3H3
InChIKeyYMARQEALTZAOLR-UHFFFAOYSA-N
XLogP0.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-4,4,6-trimethylthiazinane 1,1-dioxide?
The IUPAC name of 5,5-difluoro-4,4,6-trimethylthiazinane 1,1-dioxide (CID 126553242) is 5,5-difluoro-4,4,6-trimethylthiazinane 1,1-dioxide.
What is the SMILES notation for 5,5-difluoro-4,4,6-trimethylthiazinane 1,1-dioxide?
The canonical SMILES for 5,5-difluoro-4,4,6-trimethylthiazinane 1,1-dioxide is CC1C(F)(F)C(C)(C)CNS1(=O)=O.
What is the InChIKey of 5,5-difluoro-4,4,6-trimethylthiazinane 1,1-dioxide?
The InChIKey is YMARQEALTZAOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2S/c1-5-7(8,9)6(2,3)4-10-13(5,11)12/h5,10H,4H2,1-3H3.
What are the key properties of 5,5-difluoro-4,4,6-trimethylthiazinane 1,1-dioxide?
5,5-difluoro-4,4,6-trimethylthiazinane 1,1-dioxide has a molecular weight of 213.25 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-4,4,6-trimethylthiazinane 1,1-dioxide is sourced from PubChem (CID 126553242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).