5-fluoro-1,1-dioxothiazinan-3-one

C4H6FNO3S — CID 129064400

IUPAC5-fluoro-1,1-dioxothiazinan-3-one
SMILESO=C1CC(F)CS(=O)(=O)N1
InChIInChI=1S/C4H6FNO3S/c5-3-1-4(7)6-10(8,9)2-3/h3H,1-2H2,(H,6,7)
InChIKeyLQZYIVXANDLSQQ-UHFFFAOYSA-N
MW167.16 g/mol
LogP-0.83
Rot. Bonds

About 5-fluoro-1,1-dioxothiazinan-3-one

5-fluoro-1,1-dioxothiazinan-3-one (PubChem CID 129064400) has the molecular formula C4H6FNO3S and a molecular weight of 167.16 g/mol. Its IUPAC name is 5-fluoro-1,1-dioxothiazinan-3-one.

Molecular Properties

Compound Name5-fluoro-1,1-dioxothiazinan-3-one
PubChem CID129064400
Molecular FormulaC4H6FNO3S
Molecular Weight167.16 g/mol
Exact Mass167.01
IUPAC Name5-fluoro-1,1-dioxothiazinan-3-one
SMILESO=C1CC(F)CS(=O)(=O)N1
InChIInChI=1S/C4H6FNO3S/c5-3-1-4(7)6-10(8,9)2-3/h3H,1-2H2,(H,6,7)
InChIKeyLQZYIVXANDLSQQ-UHFFFAOYSA-N
XLogP-0.83
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,1-dioxothiazinan-3-one?
The IUPAC name of 5-fluoro-1,1-dioxothiazinan-3-one (CID 129064400) is 5-fluoro-1,1-dioxothiazinan-3-one.
What is the SMILES notation for 5-fluoro-1,1-dioxothiazinan-3-one?
The canonical SMILES for 5-fluoro-1,1-dioxothiazinan-3-one is O=C1CC(F)CS(=O)(=O)N1.
What is the InChIKey of 5-fluoro-1,1-dioxothiazinan-3-one?
The InChIKey is LQZYIVXANDLSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNO3S/c5-3-1-4(7)6-10(8,9)2-3/h3H,1-2H2,(H,6,7).
What are the key properties of 5-fluoro-1,1-dioxothiazinan-3-one?
5-fluoro-1,1-dioxothiazinan-3-one has a molecular weight of 167.16 g/mol, XLogP of -0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,1-dioxothiazinan-3-one is sourced from PubChem (CID 129064400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).