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

C10H10FNO3S — CID 82085075

IUPAC2-(2-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCC1CS(=O)(=O)N(c2ccccc2F)C1=O
InChIInChI=1S/C10H10FNO3S/c1-7-6-16(14,15)12(10(7)13)9-5-3-2-4-8(9)11/h2-5,7H,6H2,1H3
InChIKeyAYZRVLKMNGXDPY-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.14
Rot. Bonds1

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

2-(2-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 82085075) has the molecular formula C10H10FNO3S and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID82085075
Molecular FormulaC10H10FNO3S
Molecular Weight243.26 g/mol
Exact Mass243.04
IUPAC Name2-(2-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCC1CS(=O)(=O)N(c2ccccc2F)C1=O
InChIInChI=1S/C10H10FNO3S/c1-7-6-16(14,15)12(10(7)13)9-5-3-2-4-8(9)11/h2-5,7H,6H2,1H3
InChIKeyAYZRVLKMNGXDPY-UHFFFAOYSA-N
XLogP1.14
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-(2-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one (CID 82085075) is 2-(2-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-(2-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-(2-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one is CC1CS(=O)(=O)N(c2ccccc2F)C1=O.
What is the InChIKey of 2-(2-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is AYZRVLKMNGXDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3S/c1-7-6-16(14,15)12(10(7)13)9-5-3-2-4-8(9)11/h2-5,7H,6H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one?
2-(2-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 243.26 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 82085075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).