5-fluoro-1,1-dioxo-1,2-thiazolidin-3-one

C3H4FNO3S — CID 129064401

IUPAC5-fluoro-1,1-dioxo-1,2-thiazolidin-3-one
SMILESO=C1CC(F)S(=O)(=O)N1
InChIInChI=1S/C3H4FNO3S/c4-2-1-3(6)5-9(2,7)8/h2H,1H2,(H,5,6)
InChIKeyNZKCOXWMHBBJGD-UHFFFAOYSA-N
MW153.13 g/mol
LogP-0.87
Rot. Bonds

About 5-fluoro-1,1-dioxo-1,2-thiazolidin-3-one

5-fluoro-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 129064401) has the molecular formula C3H4FNO3S and a molecular weight of 153.13 g/mol. Its IUPAC name is 5-fluoro-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name5-fluoro-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID129064401
Molecular FormulaC3H4FNO3S
Molecular Weight153.13 g/mol
Exact Mass152.99
IUPAC Name5-fluoro-1,1-dioxo-1,2-thiazolidin-3-one
SMILESO=C1CC(F)S(=O)(=O)N1
InChIInChI=1S/C3H4FNO3S/c4-2-1-3(6)5-9(2,7)8/h2H,1H2,(H,5,6)
InChIKeyNZKCOXWMHBBJGD-UHFFFAOYSA-N
XLogP-0.87
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-1,1-dioxothiazinan-3-one
CID 129064400
4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)benzaldehyde
CID 87906742
5-(3-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one
CID 67121804
(2S)-2-fluorocyclopropan-1-one
CID 71362545
4-(fluoromethyl)azetidin-2-one
CID 54536465
6-amino-1,1-dioxothiazinan-3-one;6-nitro-1,1-dioxothiazinan-3-one
CID 157092412
3-(dipropylcarbamoyl)-5-(1,1,3-trioxo-1,2-thiazolidin-5-yl)benzoic acid
CID 147244608
1,1-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,2-d][1,2]thiazol-3-one
CID 57289772
methyl 3-bromo-4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)benzoate
CID 57354419
5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazinan-3-one
CID 67121822
(4S)-4-(2-fluoroethyl)pyrrolidin-2-one
CID 175917688
(5S)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 59110742

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 5-fluoro-1,1-dioxo-1,2-thiazolidin-3-one (CID 129064401) is 5-fluoro-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 5-fluoro-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 5-fluoro-1,1-dioxo-1,2-thiazolidin-3-one is O=C1CC(F)S(=O)(=O)N1.
What is the InChIKey of 5-fluoro-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is NZKCOXWMHBBJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4FNO3S/c4-2-1-3(6)5-9(2,7)8/h2H,1H2,(H,5,6).
What are the key properties of 5-fluoro-1,1-dioxo-1,2-thiazolidin-3-one?
5-fluoro-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 153.13 g/mol, XLogP of -0.87, 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-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 129064401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).