2-(3-fluorophenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one

C11H12FNO3S — CID 82089180

IUPAC2-(3-fluorophenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCC1(C)CS(=O)(=O)N(c2cccc(F)c2)C1=O
InChIInChI=1S/C11H12FNO3S/c1-11(2)7-17(15,16)13(10(11)14)9-5-3-4-8(12)6-9/h3-6H,7H2,1-2H3
InChIKeyRTWWYUSREDOSIK-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.53
Rot. Bonds1

About 2-(3-fluorophenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one

2-(3-fluorophenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 82089180) has the molecular formula C11H12FNO3S and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID82089180
Molecular FormulaC11H12FNO3S
Molecular Weight257.29 g/mol
Exact Mass257.05
IUPAC Name2-(3-fluorophenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCC1(C)CS(=O)(=O)N(c2cccc(F)c2)C1=O
InChIInChI=1S/C11H12FNO3S/c1-11(2)7-17(15,16)13(10(11)14)9-5-3-4-8(12)6-9/h3-6H,7H2,1-2H3
InChIKeyRTWWYUSREDOSIK-UHFFFAOYSA-N
XLogP1.53
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-(3-fluorophenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one (CID 82089180) is 2-(3-fluorophenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-(3-fluorophenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-(3-fluorophenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one is CC1(C)CS(=O)(=O)N(c2cccc(F)c2)C1=O.
What is the InChIKey of 2-(3-fluorophenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is RTWWYUSREDOSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3S/c1-11(2)7-17(15,16)13(10(11)14)9-5-3-4-8(12)6-9/h3-6H,7H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one?
2-(3-fluorophenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 257.29 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 82089180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).