2,4-dichloro-1-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene

C15H11Cl2F3OS — CID 47022780

IUPAC2,4-dichloro-1-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene
SMILESO=S(Cc1cccc(C(F)(F)F)c1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2F3OS/c16-13-5-4-11(14(17)7-13)9-22(21)8-10-2-1-3-12(6-10)15(18,19)20/h1-7H,8-9H2
InChIKeyZPKUMLXHADZGFE-UHFFFAOYSA-N
MW367.22 g/mol
LogP5.46
Rot. Bonds4

About 2,4-dichloro-1-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene

2,4-dichloro-1-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene (PubChem CID 47022780) has the molecular formula C15H11Cl2F3OS and a molecular weight of 367.22 g/mol. Its IUPAC name is 2,4-dichloro-1-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene
PubChem CID47022780
Molecular FormulaC15H11Cl2F3OS
Molecular Weight367.22 g/mol
Exact Mass365.99
IUPAC Name2,4-dichloro-1-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene
SMILESO=S(Cc1cccc(C(F)(F)F)c1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2F3OS/c16-13-5-4-11(14(17)7-13)9-22(21)8-10-2-1-3-12(6-10)15(18,19)20/h1-7H,8-9H2
InChIKeyZPKUMLXHADZGFE-UHFFFAOYSA-N
XLogP5.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.22
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-Dichloro-1-(((2,4-dichlorobenzyl)thio)methyl)benzene
CID 223826
Bis[4-chlorobenzyl]sulfone
CID 346670
1-[(2,6-Dichlorophenyl)methylsulfanyl]-3,5-bis(trifluoromethyl)benzene
CID 2807415
4-[Bis(methylsulfanyl)methyl]-1-chloro-2-(trifluoromethyl)benzene
CID 10266044
4-Chlorophenyldifluoromethyl sulfone
CID 138961474
1-(1-Benzylsulfanyl-2,2-difluoroethenyl)-4-chlorobenzene
CID 176422328
2,4-Dichloro-1-(trifluoromethylsulfanylmethyl)benzene
CID 176438255
1,3,5-Trichloro-2-(1,1,2,2,2-pentafluoroethylsulfanylmethyl)benzene
CID 178326651
1,3,5-Trichloro-2-(1,1,2,2,3,3,3-heptafluoropropylsulfanylmethyl)benzene
CID 178326655
1-(Benzylsulfinylmethyl)-4-chlorobenzene
CID 12907855
Bis(2-chlorobenzyl) sulfone
CID 5122065
1-Chloro-2-[(2-chloro-6-fluorophenyl)methylsulfanylmethyl]-3-fluorobenzene
CID 2804288

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene?
The IUPAC name of 2,4-dichloro-1-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene (CID 47022780) is 2,4-dichloro-1-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene is O=S(Cc1cccc(C(F)(F)F)c1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene?
The InChIKey is ZPKUMLXHADZGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3OS/c16-13-5-4-11(14(17)7-13)9-22(21)8-10-2-1-3-12(6-10)15(18,19)20/h1-7H,8-9H2.
What are the key properties of 2,4-dichloro-1-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene?
2,4-dichloro-1-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene has a molecular weight of 367.22 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene is sourced from PubChem (CID 47022780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).