6-fluoro-1,1-dioxo-1,2-benzothiazol-3-one

C7H4FNO3S — CID 23331601

IUPAC6-fluoro-1,1-dioxo-1,2-benzothiazol-3-one
SMILESO=C1NS(=O)(=O)c2cc(F)ccc21
InChIInChI=1S/C7H4FNO3S/c8-4-1-2-5-6(3-4)13(11,12)9-7(5)10/h1-3H,(H,9,10)
InChIKeyKEOZGOWEMVYVGD-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.26
Rot. Bonds

About 6-fluoro-1,1-dioxo-1,2-benzothiazol-3-one

6-fluoro-1,1-dioxo-1,2-benzothiazol-3-one (PubChem CID 23331601) has the molecular formula C7H4FNO3S and a molecular weight of 201.18 g/mol. Its IUPAC name is 6-fluoro-1,1-dioxo-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name6-fluoro-1,1-dioxo-1,2-benzothiazol-3-one
PubChem CID23331601
Molecular FormulaC7H4FNO3S
Molecular Weight201.18 g/mol
Exact Mass200.99
IUPAC Name6-fluoro-1,1-dioxo-1,2-benzothiazol-3-one
SMILESO=C1NS(=O)(=O)c2cc(F)ccc21
InChIInChI=1S/C7H4FNO3S/c8-4-1-2-5-6(3-4)13(11,12)9-7(5)10/h1-3H,(H,9,10)
InChIKeyKEOZGOWEMVYVGD-UHFFFAOYSA-N
XLogP0.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,1-dioxo-1,2-benzothiazol-3-one?
The IUPAC name of 6-fluoro-1,1-dioxo-1,2-benzothiazol-3-one (CID 23331601) is 6-fluoro-1,1-dioxo-1,2-benzothiazol-3-one.
What is the SMILES notation for 6-fluoro-1,1-dioxo-1,2-benzothiazol-3-one?
The canonical SMILES for 6-fluoro-1,1-dioxo-1,2-benzothiazol-3-one is O=C1NS(=O)(=O)c2cc(F)ccc21.
What is the InChIKey of 6-fluoro-1,1-dioxo-1,2-benzothiazol-3-one?
The InChIKey is KEOZGOWEMVYVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNO3S/c8-4-1-2-5-6(3-4)13(11,12)9-7(5)10/h1-3H,(H,9,10).
What are the key properties of 6-fluoro-1,1-dioxo-1,2-benzothiazol-3-one?
6-fluoro-1,1-dioxo-1,2-benzothiazol-3-one has a molecular weight of 201.18 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,1-dioxo-1,2-benzothiazol-3-one is sourced from PubChem (CID 23331601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).