4-(2-fluoroethoxy)benzenesulfinic acid

C8H9FO3S — CID 123969802

IUPAC4-(2-fluoroethoxy)benzenesulfinic acid
SMILESO=S(O)c1ccc(OCCF)cc1
InChIInChI=1S/C8H9FO3S/c9-5-6-12-7-1-3-8(4-2-7)13(10)11/h1-4H,5-6H2,(H,10,11)
InChIKeyAJYJZDCMONAOCG-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.62
Rot. Bonds4

About 4-(2-fluoroethoxy)benzenesulfinic acid

4-(2-fluoroethoxy)benzenesulfinic acid (PubChem CID 123969802) has the molecular formula C8H9FO3S and a molecular weight of 204.22 g/mol. Its IUPAC name is 4-(2-fluoroethoxy)benzenesulfinic acid.

Molecular Properties

Compound Name4-(2-fluoroethoxy)benzenesulfinic acid
PubChem CID123969802
Molecular FormulaC8H9FO3S
Molecular Weight204.22 g/mol
Exact Mass204.03
IUPAC Name4-(2-fluoroethoxy)benzenesulfinic acid
SMILESO=S(O)c1ccc(OCCF)cc1
InChIInChI=1S/C8H9FO3S/c9-5-6-12-7-1-3-8(4-2-7)13(10)11/h1-4H,5-6H2,(H,10,11)
InChIKeyAJYJZDCMONAOCG-UHFFFAOYSA-N
XLogP1.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethoxy)benzenesulfinic acid?
The IUPAC name of 4-(2-fluoroethoxy)benzenesulfinic acid (CID 123969802) is 4-(2-fluoroethoxy)benzenesulfinic acid.
What is the SMILES notation for 4-(2-fluoroethoxy)benzenesulfinic acid?
The canonical SMILES for 4-(2-fluoroethoxy)benzenesulfinic acid is O=S(O)c1ccc(OCCF)cc1.
What is the InChIKey of 4-(2-fluoroethoxy)benzenesulfinic acid?
The InChIKey is AJYJZDCMONAOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO3S/c9-5-6-12-7-1-3-8(4-2-7)13(10)11/h1-4H,5-6H2,(H,10,11).
What are the key properties of 4-(2-fluoroethoxy)benzenesulfinic acid?
4-(2-fluoroethoxy)benzenesulfinic acid has a molecular weight of 204.22 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethoxy)benzenesulfinic acid is sourced from PubChem (CID 123969802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).