4-bromo-2-(trifluoromethoxy)-1-(trifluoromethylsulfanyl)benzene

C8H3BrF6OS — CID 71378635

IUPAC4-bromo-2-(trifluoromethoxy)-1-(trifluoromethylsulfanyl)benzene
SMILESFC(F)(F)Oc1cc(Br)ccc1SC(F)(F)F
InChIInChI=1S/C8H3BrF6OS/c9-4-1-2-6(17-8(13,14)15)5(3-4)16-7(10,11)12/h1-3H
InChIKeyOYUSIUCPFZXEOY-UHFFFAOYSA-N
MW341.07 g/mol
LogP4.96
Rot. Bonds2

About 4-bromo-2-(trifluoromethoxy)-1-(trifluoromethylsulfanyl)benzene

4-bromo-2-(trifluoromethoxy)-1-(trifluoromethylsulfanyl)benzene (PubChem CID 71378635) has the molecular formula C8H3BrF6OS and a molecular weight of 341.07 g/mol. Its IUPAC name is 4-bromo-2-(trifluoromethoxy)-1-(trifluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name4-bromo-2-(trifluoromethoxy)-1-(trifluoromethylsulfanyl)benzene
PubChem CID71378635
Molecular FormulaC8H3BrF6OS
Molecular Weight341.07 g/mol
Exact Mass339.90
IUPAC Name4-bromo-2-(trifluoromethoxy)-1-(trifluoromethylsulfanyl)benzene
SMILESFC(F)(F)Oc1cc(Br)ccc1SC(F)(F)F
InChIInChI=1S/C8H3BrF6OS/c9-4-1-2-6(17-8(13,14)15)5(3-4)16-7(10,11)12/h1-3H
InChIKeyOYUSIUCPFZXEOY-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.07
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 2736421
CID 2736421
CID 2736425
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CID 99939021
CID 99939021
CID 26986226
CID 26986226
CID 102111148
CID 102111148
CID 13064346
CID 13064346
CID 18711473
CID 18711473
CID 18711474
CID 18711474
CID 53418035
CID 53418035
CID 57733494
CID 57733494
CID 58730462
CID 58730462
CID 67058757
CID 67058757

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(trifluoromethoxy)-1-(trifluoromethylsulfanyl)benzene?
The IUPAC name of 4-bromo-2-(trifluoromethoxy)-1-(trifluoromethylsulfanyl)benzene (CID 71378635) is 4-bromo-2-(trifluoromethoxy)-1-(trifluoromethylsulfanyl)benzene.
What is the SMILES notation for 4-bromo-2-(trifluoromethoxy)-1-(trifluoromethylsulfanyl)benzene?
The canonical SMILES for 4-bromo-2-(trifluoromethoxy)-1-(trifluoromethylsulfanyl)benzene is FC(F)(F)Oc1cc(Br)ccc1SC(F)(F)F.
What is the InChIKey of 4-bromo-2-(trifluoromethoxy)-1-(trifluoromethylsulfanyl)benzene?
The InChIKey is OYUSIUCPFZXEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF6OS/c9-4-1-2-6(17-8(13,14)15)5(3-4)16-7(10,11)12/h1-3H.
What are the key properties of 4-bromo-2-(trifluoromethoxy)-1-(trifluoromethylsulfanyl)benzene?
4-bromo-2-(trifluoromethoxy)-1-(trifluoromethylsulfanyl)benzene has a molecular weight of 341.07 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(trifluoromethoxy)-1-(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 71378635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).