5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-one

C10H8FNO3S — CID 53211779

IUPAC5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-one
SMILESCC1=C(c2ccc(F)cc2)S(=O)(=O)NC1=O
InChIInChI=1S/C10H8FNO3S/c1-6-9(16(14,15)12-10(6)13)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,12,13)
InChIKeyIVESWOSIQWMMBU-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.02
Rot. Bonds1

About 5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-one

5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-one (PubChem CID 53211779) has the molecular formula C10H8FNO3S and a molecular weight of 241.24 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-one
PubChem CID53211779
Molecular FormulaC10H8FNO3S
Molecular Weight241.24 g/mol
Exact Mass241.02
IUPAC Name5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-one
SMILESCC1=C(c2ccc(F)cc2)S(=O)(=O)NC1=O
InChIInChI=1S/C10H8FNO3S/c1-6-9(16(14,15)12-10(6)13)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,12,13)
InChIKeyIVESWOSIQWMMBU-UHFFFAOYSA-N
XLogP1.02
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-one?
The IUPAC name of 5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-one (CID 53211779) is 5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-one?
The canonical SMILES for 5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-one is CC1=C(c2ccc(F)cc2)S(=O)(=O)NC1=O.
What is the InChIKey of 5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-one?
The InChIKey is IVESWOSIQWMMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3S/c1-6-9(16(14,15)12-10(6)13)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,12,13).
What are the key properties of 5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-one?
5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-one has a molecular weight of 241.24 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-one is sourced from PubChem (CID 53211779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).