2-(4-fluorophenyl)sulfanyl-5-oxooxolane-2-carboxylic acid

C11H9FO4S — CID 10015262

IUPAC2-(4-fluorophenyl)sulfanyl-5-oxooxolane-2-carboxylic acid
SMILESO=C1CCC(Sc2ccc(F)cc2)(C(=O)O)O1
InChIInChI=1S/C11H9FO4S/c12-7-1-3-8(4-2-7)17-11(10(14)15)6-5-9(13)16-11/h1-4H,5-6H2,(H,14,15)
InChIKeyFAXZNRIPXXWBPG-UHFFFAOYSA-N
MW256.25 g/mol
LogP2.04
Rot. Bonds3

About 2-(4-fluorophenyl)sulfanyl-5-oxooxolane-2-carboxylic acid

2-(4-fluorophenyl)sulfanyl-5-oxooxolane-2-carboxylic acid (PubChem CID 10015262) has the molecular formula C11H9FO4S and a molecular weight of 256.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-5-oxooxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-5-oxooxolane-2-carboxylic acid
PubChem CID10015262
Molecular FormulaC11H9FO4S
Molecular Weight256.25 g/mol
Exact Mass256.02
IUPAC Name2-(4-fluorophenyl)sulfanyl-5-oxooxolane-2-carboxylic acid
SMILESO=C1CCC(Sc2ccc(F)cc2)(C(=O)O)O1
InChIInChI=1S/C11H9FO4S/c12-7-1-3-8(4-2-7)17-11(10(14)15)6-5-9(13)16-11/h1-4H,5-6H2,(H,14,15)
InChIKeyFAXZNRIPXXWBPG-UHFFFAOYSA-N
XLogP2.04
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-Difluorophenyl)sulfanyl-5-oxooxolane-2-carboxylic acid
CID 10265341
2-(4-Fluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid
CID 23075202
2-(2,4-Difluorophenyl)sulfonyl-5-oxooxolane-2-carboxylic acid
CID 23075205
5-[(3,4-Difluorophenyl)sulfinylmethyl]oxolane-2-carboxylic acid
CID 55054269
5-[(3,4-Difluorophenyl)sulfanylmethyl]oxolane-2-carboxylic acid
CID 62298877
5-[(2,5-Difluorophenyl)sulfanylmethyl]oxolane-2-carboxylic acid
CID 62299047
5-[(2,4-Difluorophenyl)sulfanylmethyl]oxolane-2-carboxylic acid
CID 62299048
5-[(4-Fluorophenyl)sulfinylmethyl]oxolane-2-carboxylic acid
CID 62299429
5-[(2-Fluorophenyl)sulfinylmethyl]oxolane-2-carboxylic acid
CID 62299618
5-[(2-Fluorophenyl)sulfanylmethyl]oxolane-2-carboxylic acid
CID 62300292
5-[(2,4-Difluorophenyl)sulfinylmethyl]oxolane-2-carboxylic acid
CID 62300321
5-[(2,5-Difluorophenyl)sulfinylmethyl]oxolane-2-carboxylic acid
CID 62300833

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-5-oxooxolane-2-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-5-oxooxolane-2-carboxylic acid (CID 10015262) is 2-(4-fluorophenyl)sulfanyl-5-oxooxolane-2-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-5-oxooxolane-2-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-5-oxooxolane-2-carboxylic acid is O=C1CCC(Sc2ccc(F)cc2)(C(=O)O)O1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-5-oxooxolane-2-carboxylic acid?
The InChIKey is FAXZNRIPXXWBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO4S/c12-7-1-3-8(4-2-7)17-11(10(14)15)6-5-9(13)16-11/h1-4H,5-6H2,(H,14,15).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-5-oxooxolane-2-carboxylic acid?
2-(4-fluorophenyl)sulfanyl-5-oxooxolane-2-carboxylic acid has a molecular weight of 256.25 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-5-oxooxolane-2-carboxylic acid is sourced from PubChem (CID 10015262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).