1-(2,4-difluorophenyl)-2-propylsulfinylethanone

C11H12F2O2S — CID 64639884

IUPAC1-(2,4-difluorophenyl)-2-propylsulfinylethanone
SMILESCCCS(=O)CC(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H12F2O2S/c1-2-5-16(15)7-11(14)9-4-3-8(12)6-10(9)13/h3-4,6H,2,5,7H2,1H3
InChIKeyNXMBWCLVSPAOQK-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.31
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-propylsulfinylethanone

1-(2,4-difluorophenyl)-2-propylsulfinylethanone (PubChem CID 64639884) has the molecular formula C11H12F2O2S and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-propylsulfinylethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-propylsulfinylethanone
PubChem CID64639884
Molecular FormulaC11H12F2O2S
Molecular Weight246.28 g/mol
Exact Mass246.05
IUPAC Name1-(2,4-difluorophenyl)-2-propylsulfinylethanone
SMILESCCCS(=O)CC(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H12F2O2S/c1-2-5-16(15)7-11(14)9-4-3-8(12)6-10(9)13/h3-4,6H,2,5,7H2,1H3
InChIKeyNXMBWCLVSPAOQK-UHFFFAOYSA-N
XLogP2.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)dodecan-1-one
CID 65448734
1-(2-fluorophenyl)-2-pentylsulfinylethanone
CID 107765698
1-(2,4-difluorophenyl)-2-thiophen-2-ylsulfinylethanone
CID 64639086
1-(2,4-difluorophenyl)-4-methylpentane-1,3-dione
CID 63319815
1-(2,4-difluorophenyl)-2-(ethylamino)ethanone
CID 82282170
2-bromo-1-(2,4-difluorophenyl)ethanone
CID 2774185
1-(2,4-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 43337683
1-(2,4-difluorophenyl)octane-1,3-dione
CID 43321124
1-(4-fluorophenyl)-2-pentylsulfinylethanone
CID 107764510
1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethanone
CID 10822582
ethyl 2-(2,4-difluorophenyl)-2-oxoacetate
CID 24722254
1-(2,4-difluorophenyl)-2-hexoxyethanone
CID 43800649

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-propylsulfinylethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-propylsulfinylethanone (CID 64639884) is 1-(2,4-difluorophenyl)-2-propylsulfinylethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-propylsulfinylethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-propylsulfinylethanone is CCCS(=O)CC(=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-propylsulfinylethanone?
The InChIKey is NXMBWCLVSPAOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2S/c1-2-5-16(15)7-11(14)9-4-3-8(12)6-10(9)13/h3-4,6H,2,5,7H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-propylsulfinylethanone?
1-(2,4-difluorophenyl)-2-propylsulfinylethanone has a molecular weight of 246.28 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-propylsulfinylethanone is sourced from PubChem (CID 64639884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).