2-[2-(5-fluorosulfonylthiophen-2-yl)ethoxy]acetic acid

C8H9FO5S2 — CID 165442093

IUPAC2-[2-(5-fluorosulfonylthiophen-2-yl)ethoxy]acetic acid
SMILESO=C(O)COCCc1ccc(S(=O)(=O)F)s1
InChIInChI=1S/C8H9FO5S2/c9-16(12,13)8-2-1-6(15-8)3-4-14-5-7(10)11/h1-2H,3-5H2,(H,10,11)
InChIKeyNUQZSYGTRJPCJW-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.05
Rot. Bonds6

About 2-[2-(5-fluorosulfonylthiophen-2-yl)ethoxy]acetic acid

2-[2-(5-fluorosulfonylthiophen-2-yl)ethoxy]acetic acid (PubChem CID 165442093) has the molecular formula C8H9FO5S2 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[2-(5-fluorosulfonylthiophen-2-yl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(5-fluorosulfonylthiophen-2-yl)ethoxy]acetic acid
PubChem CID165442093
Molecular FormulaC8H9FO5S2
Molecular Weight268.29 g/mol
Exact Mass267.99
IUPAC Name2-[2-(5-fluorosulfonylthiophen-2-yl)ethoxy]acetic acid
SMILESO=C(O)COCCc1ccc(S(=O)(=O)F)s1
InChIInChI=1S/C8H9FO5S2/c9-16(12,13)8-2-1-6(15-8)3-4-14-5-7(10)11/h1-2H,3-5H2,(H,10,11)
InChIKeyNUQZSYGTRJPCJW-UHFFFAOYSA-N
XLogP1.05
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-fluorosulfonylthiophen-2-yl)ethoxy]acetic acid?
The IUPAC name of 2-[2-(5-fluorosulfonylthiophen-2-yl)ethoxy]acetic acid (CID 165442093) is 2-[2-(5-fluorosulfonylthiophen-2-yl)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(5-fluorosulfonylthiophen-2-yl)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(5-fluorosulfonylthiophen-2-yl)ethoxy]acetic acid is O=C(O)COCCc1ccc(S(=O)(=O)F)s1.
What is the InChIKey of 2-[2-(5-fluorosulfonylthiophen-2-yl)ethoxy]acetic acid?
The InChIKey is NUQZSYGTRJPCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO5S2/c9-16(12,13)8-2-1-6(15-8)3-4-14-5-7(10)11/h1-2H,3-5H2,(H,10,11).
What are the key properties of 2-[2-(5-fluorosulfonylthiophen-2-yl)ethoxy]acetic acid?
2-[2-(5-fluorosulfonylthiophen-2-yl)ethoxy]acetic acid has a molecular weight of 268.29 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-fluorosulfonylthiophen-2-yl)ethoxy]acetic acid is sourced from PubChem (CID 165442093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).