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

C15H11Cl2F3OS — CID 51113115

IUPAC1,3-dichloro-2-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene
SMILESO=S(Cc1cccc(C(F)(F)F)c1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H11Cl2F3OS/c16-13-5-2-6-14(17)12(13)9-22(21)8-10-3-1-4-11(7-10)15(18,19)20/h1-7H,8-9H2
InChIKeyIQWHZMMEERKKIH-UHFFFAOYSA-N
MW367.22 g/mol
LogP5.46
Rot. Bonds4

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

1,3-dichloro-2-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene (PubChem CID 51113115) has the molecular formula C15H11Cl2F3OS and a molecular weight of 367.22 g/mol. Its IUPAC name is 1,3-dichloro-2-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene
PubChem CID51113115
Molecular FormulaC15H11Cl2F3OS
Molecular Weight367.22 g/mol
Exact Mass365.99
IUPAC Name1,3-dichloro-2-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene
SMILESO=S(Cc1cccc(C(F)(F)F)c1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H11Cl2F3OS/c16-13-5-2-6-14(17)12(13)9-22(21)8-10-3-1-4-11(7-10)15(18,19)20/h1-7H,8-9H2
InChIKeyIQWHZMMEERKKIH-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

Analyze 1,3-dichloro-2-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene with MolForge

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

Launch Full Analysis

Related Compounds

CID 2804859
CID 2804859
CID 2807415
CID 2807415
CID 5122065
CID 5122065
CID 2803725
CID 2803725
CID 2804288
CID 2804288
CID 45871737
CID 45871737
CID 47022748
CID 47022748
CID 47022772
CID 47022772
CID 47022779
CID 47022779
CID 47022780
CID 47022780
CID 47022792
CID 47022792
CID 47022804
CID 47022804

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene?
The IUPAC name of 1,3-dichloro-2-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene (CID 51113115) is 1,3-dichloro-2-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene.
What is the SMILES notation for 1,3-dichloro-2-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene?
The canonical SMILES for 1,3-dichloro-2-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene is O=S(Cc1cccc(C(F)(F)F)c1)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1,3-dichloro-2-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene?
The InChIKey is IQWHZMMEERKKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3OS/c16-13-5-2-6-14(17)12(13)9-22(21)8-10-3-1-4-11(7-10)15(18,19)20/h1-7H,8-9H2.
What are the key properties of 1,3-dichloro-2-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene?
1,3-dichloro-2-[[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 1,3-dichloro-2-[[3-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene is sourced from PubChem (CID 51113115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).