6-fluoro-1,3-benzothiazine-2,4-dione

C8H4FNO2S — CID 21331308

IUPAC6-fluoro-1,3-benzothiazine-2,4-dione
SMILESO=c1[nH]c(=O)c2cc(F)ccc2s1
InChIInChI=1S/C8H4FNO2S/c9-4-1-2-6-5(3-4)7(11)10-8(12)13-6/h1-3H,(H,10,11,12)
InChIKeyCEGBPMUHHILBGY-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.09
Rot. Bonds

About 6-fluoro-1,3-benzothiazine-2,4-dione

6-fluoro-1,3-benzothiazine-2,4-dione (PubChem CID 21331308) has the molecular formula C8H4FNO2S and a molecular weight of 197.19 g/mol. Its IUPAC name is 6-fluoro-1,3-benzothiazine-2,4-dione.

Molecular Properties

Compound Name6-fluoro-1,3-benzothiazine-2,4-dione
PubChem CID21331308
Molecular FormulaC8H4FNO2S
Molecular Weight197.19 g/mol
Exact Mass196.99
IUPAC Name6-fluoro-1,3-benzothiazine-2,4-dione
SMILESO=c1[nH]c(=O)c2cc(F)ccc2s1
InChIInChI=1S/C8H4FNO2S/c9-4-1-2-6-5(3-4)7(11)10-8(12)13-6/h1-3H,(H,10,11,12)
InChIKeyCEGBPMUHHILBGY-UHFFFAOYSA-N
XLogP1.09
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,3-benzothiazine-2,4-dione?
The IUPAC name of 6-fluoro-1,3-benzothiazine-2,4-dione (CID 21331308) is 6-fluoro-1,3-benzothiazine-2,4-dione.
What is the SMILES notation for 6-fluoro-1,3-benzothiazine-2,4-dione?
The canonical SMILES for 6-fluoro-1,3-benzothiazine-2,4-dione is O=c1[nH]c(=O)c2cc(F)ccc2s1.
What is the InChIKey of 6-fluoro-1,3-benzothiazine-2,4-dione?
The InChIKey is CEGBPMUHHILBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FNO2S/c9-4-1-2-6-5(3-4)7(11)10-8(12)13-6/h1-3H,(H,10,11,12).
What are the key properties of 6-fluoro-1,3-benzothiazine-2,4-dione?
6-fluoro-1,3-benzothiazine-2,4-dione has a molecular weight of 197.19 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,3-benzothiazine-2,4-dione is sourced from PubChem (CID 21331308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).