1-(4-fluorophenyl)-2-propan-2-ylsulfonylethanone

C11H13FO3S — CID 64638082

IUPAC1-(4-fluorophenyl)-2-propan-2-ylsulfonylethanone
SMILESCC(C)S(=O)(=O)CC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H13FO3S/c1-8(2)16(14,15)7-11(13)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyRQPUSERGPQNRFC-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.83
Rot. Bonds4

About 1-(4-fluorophenyl)-2-propan-2-ylsulfonylethanone

1-(4-fluorophenyl)-2-propan-2-ylsulfonylethanone (PubChem CID 64638082) has the molecular formula C11H13FO3S and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-propan-2-ylsulfonylethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-propan-2-ylsulfonylethanone
PubChem CID64638082
Molecular FormulaC11H13FO3S
Molecular Weight244.29 g/mol
Exact Mass244.06
IUPAC Name1-(4-fluorophenyl)-2-propan-2-ylsulfonylethanone
SMILESCC(C)S(=O)(=O)CC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H13FO3S/c1-8(2)16(14,15)7-11(13)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyRQPUSERGPQNRFC-UHFFFAOYSA-N
XLogP1.83
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-2-propan-2-ylsulfonylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-propan-2-ylsulfonylethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-propan-2-ylsulfonylethanone (CID 64638082) is 1-(4-fluorophenyl)-2-propan-2-ylsulfonylethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-propan-2-ylsulfonylethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-propan-2-ylsulfonylethanone is CC(C)S(=O)(=O)CC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-propan-2-ylsulfonylethanone?
The InChIKey is RQPUSERGPQNRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3S/c1-8(2)16(14,15)7-11(13)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-propan-2-ylsulfonylethanone?
1-(4-fluorophenyl)-2-propan-2-ylsulfonylethanone has a molecular weight of 244.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-propan-2-ylsulfonylethanone is sourced from PubChem (CID 64638082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).