2-[2-(3-fluorophenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one

C11H12FNO4S — CID 94697860

IUPAC2-[2-(3-fluorophenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESO=C1CCS(=O)(=O)N1CCOc1cccc(F)c1
InChIInChI=1S/C11H12FNO4S/c12-9-2-1-3-10(8-9)17-6-5-13-11(14)4-7-18(13,15)16/h1-3,8H,4-7H2
InChIKeyMXGIPDMPSMOTCS-UHFFFAOYSA-N
MW273.28 g/mol
LogP0.77
Rot. Bonds4

About 2-[2-(3-fluorophenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one

2-[2-(3-fluorophenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 94697860) has the molecular formula C11H12FNO4S and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-[2-(3-fluorophenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-[2-(3-fluorophenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID94697860
Molecular FormulaC11H12FNO4S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC Name2-[2-(3-fluorophenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESO=C1CCS(=O)(=O)N1CCOc1cccc(F)c1
InChIInChI=1S/C11H12FNO4S/c12-9-2-1-3-10(8-9)17-6-5-13-11(14)4-7-18(13,15)16/h1-3,8H,4-7H2
InChIKeyMXGIPDMPSMOTCS-UHFFFAOYSA-N
XLogP0.77
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-tert-butylphenoxy)propyl]-1,1-dioxothiazinan-3-one
CID 167749491
2-[2-(2-methylphenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 82134275
1-[2-(3-fluorophenoxy)ethyl]-5-oxopyrrolidine-3-carbonitrile
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CID 70109836
2-(3-fluorophenoxy)ethanethiol
CID 79002331
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CID 14575315
3-[(3-fluorophenoxy)methyl]cyclobutan-1-one
CID 121208144
1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine
CID 119919442
5-amino-1-[3-(3-fluorophenoxy)propyl]pyridin-2-one
CID 43259980
3-[2-(3-chlorophenoxy)ethyl]-2,2-dioxo-1H-2λ6,3-benzothiazin-4-one
CID 51129486
3-[2-(3-fluorophenoxy)ethyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 78867246
3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 60739345

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-[2-(3-fluorophenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one (CID 94697860) is 2-[2-(3-fluorophenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-[2-(3-fluorophenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-[2-(3-fluorophenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one is O=C1CCS(=O)(=O)N1CCOc1cccc(F)c1.
What is the InChIKey of 2-[2-(3-fluorophenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is MXGIPDMPSMOTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4S/c12-9-2-1-3-10(8-9)17-6-5-13-11(14)4-7-18(13,15)16/h1-3,8H,4-7H2.
What are the key properties of 2-[2-(3-fluorophenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one?
2-[2-(3-fluorophenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 273.28 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenoxy)ethyl]-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 94697860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).