4-(4-fluorophenyl)sulfinylbutanoic acid

C10H11FO3S — CID 61303533

IUPAC4-(4-fluorophenyl)sulfinylbutanoic acid
SMILESO=C(O)CCCS(=O)c1ccc(F)cc1
InChIInChI=1S/C10H11FO3S/c11-8-3-5-9(6-4-8)15(14)7-1-2-10(12)13/h3-6H,1-2,7H2,(H,12,13)
InChIKeyVNBMTAXJMFQAEU-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.80
Rot. Bonds5

About 4-(4-fluorophenyl)sulfinylbutanoic acid

4-(4-fluorophenyl)sulfinylbutanoic acid (PubChem CID 61303533) has the molecular formula C10H11FO3S and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfinylbutanoic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfinylbutanoic acid
PubChem CID61303533
Molecular FormulaC10H11FO3S
Molecular Weight230.26 g/mol
Exact Mass230.04
IUPAC Name4-(4-fluorophenyl)sulfinylbutanoic acid
SMILESO=C(O)CCCS(=O)c1ccc(F)cc1
InChIInChI=1S/C10H11FO3S/c11-8-3-5-9(6-4-8)15(14)7-1-2-10(12)13/h3-6H,1-2,7H2,(H,12,13)
InChIKeyVNBMTAXJMFQAEU-UHFFFAOYSA-N
XLogP1.80
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfinylbutanoic acid?
The IUPAC name of 4-(4-fluorophenyl)sulfinylbutanoic acid (CID 61303533) is 4-(4-fluorophenyl)sulfinylbutanoic acid.
What is the SMILES notation for 4-(4-fluorophenyl)sulfinylbutanoic acid?
The canonical SMILES for 4-(4-fluorophenyl)sulfinylbutanoic acid is O=C(O)CCCS(=O)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfinylbutanoic acid?
The InChIKey is VNBMTAXJMFQAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3S/c11-8-3-5-9(6-4-8)15(14)7-1-2-10(12)13/h3-6H,1-2,7H2,(H,12,13).
What are the key properties of 4-(4-fluorophenyl)sulfinylbutanoic acid?
4-(4-fluorophenyl)sulfinylbutanoic acid has a molecular weight of 230.26 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfinylbutanoic acid is sourced from PubChem (CID 61303533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).