6,6-difluorothiazinane 1,1-dioxide

C4H7F2NO2S — CID 58114513

IUPAC6,6-difluorothiazinane 1,1-dioxide
SMILESO=S1(=O)NCCCC1(F)F
InChIInChI=1S/C4H7F2NO2S/c5-4(6)2-1-3-7-10(4,8)9/h7H,1-3H2
InChIKeyYUCIIXIWFCJCOA-UHFFFAOYSA-N
MW171.17 g/mol
LogP0.29
Rot. Bonds

About 6,6-difluorothiazinane 1,1-dioxide

6,6-difluorothiazinane 1,1-dioxide (PubChem CID 58114513) has the molecular formula C4H7F2NO2S and a molecular weight of 171.17 g/mol. Its IUPAC name is 6,6-difluorothiazinane 1,1-dioxide.

Molecular Properties

Compound Name6,6-difluorothiazinane 1,1-dioxide
PubChem CID58114513
Molecular FormulaC4H7F2NO2S
Molecular Weight171.17 g/mol
Exact Mass171.02
IUPAC Name6,6-difluorothiazinane 1,1-dioxide
SMILESO=S1(=O)NCCCC1(F)F
InChIInChI=1S/C4H7F2NO2S/c5-4(6)2-1-3-7-10(4,8)9/h7H,1-3H2
InChIKeyYUCIIXIWFCJCOA-UHFFFAOYSA-N
XLogP0.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluorothiazinane 1,1-dioxide?
The IUPAC name of 6,6-difluorothiazinane 1,1-dioxide (CID 58114513) is 6,6-difluorothiazinane 1,1-dioxide.
What is the SMILES notation for 6,6-difluorothiazinane 1,1-dioxide?
The canonical SMILES for 6,6-difluorothiazinane 1,1-dioxide is O=S1(=O)NCCCC1(F)F.
What is the InChIKey of 6,6-difluorothiazinane 1,1-dioxide?
The InChIKey is YUCIIXIWFCJCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO2S/c5-4(6)2-1-3-7-10(4,8)9/h7H,1-3H2.
What are the key properties of 6,6-difluorothiazinane 1,1-dioxide?
6,6-difluorothiazinane 1,1-dioxide has a molecular weight of 171.17 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluorothiazinane 1,1-dioxide is sourced from PubChem (CID 58114513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).