1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-4-(trifluoromethylsulfinyl)imidazole

C11H4Cl2F6N2O2S — CID 19754606

IUPAC1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-4-(trifluoromethylsulfinyl)imidazole
SMILESO=S(c1cn(-c2c(Cl)cc(OC(F)(F)F)cc2Cl)cn1)C(F)(F)F
InChIInChI=1S/C11H4Cl2F6N2O2S/c12-6-1-5(23-10(14,15)16)2-7(13)9(6)21-3-8(20-4-21)24(22)11(17,18)19/h1-4H
InChIKeyIDCSSXNGRISVOI-UHFFFAOYSA-N
MW413.13 g/mol
LogP4.71
Rot. Bonds3

About 1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-4-(trifluoromethylsulfinyl)imidazole

1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-4-(trifluoromethylsulfinyl)imidazole (PubChem CID 19754606) has the molecular formula C11H4Cl2F6N2O2S and a molecular weight of 413.13 g/mol. Its IUPAC name is 1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-4-(trifluoromethylsulfinyl)imidazole.

Molecular Properties

Compound Name1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-4-(trifluoromethylsulfinyl)imidazole
PubChem CID19754606
Molecular FormulaC11H4Cl2F6N2O2S
Molecular Weight413.13 g/mol
Exact Mass411.93
IUPAC Name1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-4-(trifluoromethylsulfinyl)imidazole
SMILESO=S(c1cn(-c2c(Cl)cc(OC(F)(F)F)cc2Cl)cn1)C(F)(F)F
InChIInChI=1S/C11H4Cl2F6N2O2S/c12-6-1-5(23-10(14,15)16)2-7(13)9(6)21-3-8(20-4-21)24(22)11(17,18)19/h1-4H
InChIKeyIDCSSXNGRISVOI-UHFFFAOYSA-N
XLogP4.71
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.13
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-4-(trifluoromethylsulfinyl)imidazole?
The IUPAC name of 1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-4-(trifluoromethylsulfinyl)imidazole (CID 19754606) is 1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-4-(trifluoromethylsulfinyl)imidazole.
What is the SMILES notation for 1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-4-(trifluoromethylsulfinyl)imidazole?
The canonical SMILES for 1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-4-(trifluoromethylsulfinyl)imidazole is O=S(c1cn(-c2c(Cl)cc(OC(F)(F)F)cc2Cl)cn1)C(F)(F)F.
What is the InChIKey of 1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-4-(trifluoromethylsulfinyl)imidazole?
The InChIKey is IDCSSXNGRISVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl2F6N2O2S/c12-6-1-5(23-10(14,15)16)2-7(13)9(6)21-3-8(20-4-21)24(22)11(17,18)19/h1-4H.
What are the key properties of 1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-4-(trifluoromethylsulfinyl)imidazole?
1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-4-(trifluoromethylsulfinyl)imidazole has a molecular weight of 413.13 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-4-(trifluoromethylsulfinyl)imidazole is sourced from PubChem (CID 19754606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).