1-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfinylpropan-1-one

C15H11Cl2FO2S — CID 64635567

IUPAC1-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfinylpropan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1Cl)S(=O)c1ccccc1F
InChIInChI=1S/C15H11Cl2FO2S/c1-9(21(20)14-5-3-2-4-13(14)18)15(19)11-7-6-10(16)8-12(11)17/h2-9H,1H3
InChIKeyAIWBYOSITNXGCO-UHFFFAOYSA-N
MW345.22 g/mol
LogP4.51
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfinylpropan-1-one

1-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfinylpropan-1-one (PubChem CID 64635567) has the molecular formula C15H11Cl2FO2S and a molecular weight of 345.22 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfinylpropan-1-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfinylpropan-1-one
PubChem CID64635567
Molecular FormulaC15H11Cl2FO2S
Molecular Weight345.22 g/mol
Exact Mass343.98
IUPAC Name1-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfinylpropan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1Cl)S(=O)c1ccccc1F
InChIInChI=1S/C15H11Cl2FO2S/c1-9(21(20)14-5-3-2-4-13(14)18)15(19)11-7-6-10(16)8-12(11)17/h2-9H,1H3
InChIKeyAIWBYOSITNXGCO-UHFFFAOYSA-N
XLogP4.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfinylpropan-1-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfinylpropan-1-one (CID 64635567) is 1-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfinylpropan-1-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfinylpropan-1-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfinylpropan-1-one is CC(C(=O)c1ccc(Cl)cc1Cl)S(=O)c1ccccc1F.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfinylpropan-1-one?
The InChIKey is AIWBYOSITNXGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO2S/c1-9(21(20)14-5-3-2-4-13(14)18)15(19)11-7-6-10(16)8-12(11)17/h2-9H,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfinylpropan-1-one?
1-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfinylpropan-1-one has a molecular weight of 345.22 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfinylpropan-1-one is sourced from PubChem (CID 64635567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).