4-(2,4-difluorophenoxy)-1,1-dioxothiolan-3-ol

C10H10F2O4S — CID 60878407

IUPAC4-(2,4-difluorophenoxy)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(Oc2ccc(F)cc2F)C1
InChIInChI=1S/C10H10F2O4S/c11-6-1-2-9(7(12)3-6)16-10-5-17(14,15)4-8(10)13/h1-3,8,10,13H,4-5H2
InChIKeyYNJDREJEVJCLSU-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.50
Rot. Bonds2

About 4-(2,4-difluorophenoxy)-1,1-dioxothiolan-3-ol

4-(2,4-difluorophenoxy)-1,1-dioxothiolan-3-ol (PubChem CID 60878407) has the molecular formula C10H10F2O4S and a molecular weight of 264.25 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-1,1-dioxothiolan-3-ol
PubChem CID60878407
Molecular FormulaC10H10F2O4S
Molecular Weight264.25 g/mol
Exact Mass264.03
IUPAC Name4-(2,4-difluorophenoxy)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(Oc2ccc(F)cc2F)C1
InChIInChI=1S/C10H10F2O4S/c11-6-1-2-9(7(12)3-6)16-10-5-17(14,15)4-8(10)13/h1-3,8,10,13H,4-5H2
InChIKeyYNJDREJEVJCLSU-UHFFFAOYSA-N
XLogP0.50
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-fluoro-4-(hydroxymethyl)phenoxy]-1,1-dioxothiolan-3-ol
CID 107690838
4-[4-fluoro-2-(hydroxymethyl)phenoxy]-1,1-dioxothiolan-3-ol
CID 107698615
3-fluoro-4-(4-hydroxy-1,1-dioxothiolan-3-yl)oxybenzonitrile
CID 107667436
1-[4-fluoro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxyphenyl]ethanone
CID 63069387
4-[4-fluoro-2-(propylaminomethyl)phenoxy]-1,1-dioxothiolan-3-ol
CID 107695902
2-(2,4-difluorophenoxy)cyclopentan-1-ol
CID 60878215
4-(2-methylphenoxy)-1,1-dioxothiolan-3-ol
CID 60879724
1,1-dioxo-4-(2,3,4,5,6-pentafluorophenoxy)thiolan-3-ol
CID 60879356
2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxy-5-iodobenzoic acid
CID 82994954
1,1-dioxo-4-(2-propan-2-ylphenoxy)thiolan-3-ol
CID 60880293
4-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-1,1-dioxothiolan-3-ol
CID 79156861
3-(4-hydroxy-1,1-dioxothiolan-3-yl)oxy-6-methylpyridine-2-carbaldehyde
CID 79156842

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(2,4-difluorophenoxy)-1,1-dioxothiolan-3-ol (CID 60878407) is 4-(2,4-difluorophenoxy)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(2,4-difluorophenoxy)-1,1-dioxothiolan-3-ol is O=S1(=O)CC(O)C(Oc2ccc(F)cc2F)C1.
What is the InChIKey of 4-(2,4-difluorophenoxy)-1,1-dioxothiolan-3-ol?
The InChIKey is YNJDREJEVJCLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O4S/c11-6-1-2-9(7(12)3-6)16-10-5-17(14,15)4-8(10)13/h1-3,8,10,13H,4-5H2.
What are the key properties of 4-(2,4-difluorophenoxy)-1,1-dioxothiolan-3-ol?
4-(2,4-difluorophenoxy)-1,1-dioxothiolan-3-ol has a molecular weight of 264.25 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 60878407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).