2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxylic acid

C10H8FNO3S — CID 67816069

IUPAC2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxylic acid
SMILESO=C(O)N1C(=O)CC1Sc1ccc(F)cc1
InChIInChI=1S/C10H8FNO3S/c11-6-1-3-7(4-2-6)16-9-5-8(13)12(9)10(14)15/h1-4,9H,5H2,(H,14,15)
InChIKeyZBRZTGZGJGXEKN-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.15
Rot. Bonds2

About 2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxylic acid

2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxylic acid (PubChem CID 67816069) has the molecular formula C10H8FNO3S and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxylic acid
PubChem CID67816069
Molecular FormulaC10H8FNO3S
Molecular Weight241.24 g/mol
Exact Mass241.02
IUPAC Name2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxylic acid
SMILESO=C(O)N1C(=O)CC1Sc1ccc(F)cc1
InChIInChI=1S/C10H8FNO3S/c11-6-1-3-7(4-2-6)16-9-5-8(13)12(9)10(14)15/h1-4,9H,5H2,(H,14,15)
InChIKeyZBRZTGZGJGXEKN-UHFFFAOYSA-N
XLogP2.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxylic acid (CID 67816069) is 2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxylic acid is O=C(O)N1C(=O)CC1Sc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxylic acid?
The InChIKey is ZBRZTGZGJGXEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3S/c11-6-1-3-7(4-2-6)16-9-5-8(13)12(9)10(14)15/h1-4,9H,5H2,(H,14,15).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxylic acid?
2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxylic acid has a molecular weight of 241.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxylic acid is sourced from PubChem (CID 67816069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).