3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbaldehyde

C11H12FNO2S — CID 134373892

IUPAC3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbaldehyde
SMILESO=CN1CCC(S(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C11H12FNO2S/c12-9-1-3-10(4-2-9)16(15)11-5-6-13(7-11)8-14/h1-4,8,11H,5-7H2
InChIKeySLHRINMVMMIGJW-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.16
Rot. Bonds3

About 3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbaldehyde

3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbaldehyde (PubChem CID 134373892) has the molecular formula C11H12FNO2S and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbaldehyde
PubChem CID134373892
Molecular FormulaC11H12FNO2S
Molecular Weight241.29 g/mol
Exact Mass241.06
IUPAC Name3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbaldehyde
SMILESO=CN1CCC(S(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C11H12FNO2S/c12-9-1-3-10(4-2-9)16(15)11-5-6-13(7-11)8-14/h1-4,8,11H,5-7H2
InChIKeySLHRINMVMMIGJW-UHFFFAOYSA-N
XLogP1.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbaldehyde?
The IUPAC name of 3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbaldehyde (CID 134373892) is 3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbaldehyde.
What is the SMILES notation for 3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbaldehyde?
The canonical SMILES for 3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbaldehyde is O=CN1CCC(S(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbaldehyde?
The InChIKey is SLHRINMVMMIGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2S/c12-9-1-3-10(4-2-9)16(15)11-5-6-13(7-11)8-14/h1-4,8,11H,5-7H2.
What are the key properties of 3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbaldehyde?
3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbaldehyde has a molecular weight of 241.29 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbaldehyde is sourced from PubChem (CID 134373892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).