1,5-dibromo-2-(difluoromethoxy)-4-(trifluoromethylsulfanyl)benzene

C8H3Br2F5OS — CID 118824768

IUPAC1,5-dibromo-2-(difluoromethoxy)-4-(trifluoromethylsulfanyl)benzene
SMILESFC(F)Oc1cc(SC(F)(F)F)c(Br)cc1Br
InChIInChI=1S/C8H3Br2F5OS/c9-3-1-4(10)6(17-8(13,14)15)2-5(3)16-7(11)12/h1-2,7H
InChIKeyCVWXDUFANJMDTI-UHFFFAOYSA-N
MW401.98 g/mol
LogP5.42
Rot. Bonds3

About 1,5-dibromo-2-(difluoromethoxy)-4-(trifluoromethylsulfanyl)benzene

1,5-dibromo-2-(difluoromethoxy)-4-(trifluoromethylsulfanyl)benzene (PubChem CID 118824768) has the molecular formula C8H3Br2F5OS and a molecular weight of 401.98 g/mol. Its IUPAC name is 1,5-dibromo-2-(difluoromethoxy)-4-(trifluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name1,5-dibromo-2-(difluoromethoxy)-4-(trifluoromethylsulfanyl)benzene
PubChem CID118824768
Molecular FormulaC8H3Br2F5OS
Molecular Weight401.98 g/mol
Exact Mass399.82
IUPAC Name1,5-dibromo-2-(difluoromethoxy)-4-(trifluoromethylsulfanyl)benzene
SMILESFC(F)Oc1cc(SC(F)(F)F)c(Br)cc1Br
InChIInChI=1S/C8H3Br2F5OS/c9-3-1-4(10)6(17-8(13,14)15)2-5(3)16-7(11)12/h1-2,7H
InChIKeyCVWXDUFANJMDTI-UHFFFAOYSA-N
XLogP5.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.98
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-2-(difluoromethoxy)-4-(trifluoromethylsulfanyl)benzene?
The IUPAC name of 1,5-dibromo-2-(difluoromethoxy)-4-(trifluoromethylsulfanyl)benzene (CID 118824768) is 1,5-dibromo-2-(difluoromethoxy)-4-(trifluoromethylsulfanyl)benzene.
What is the SMILES notation for 1,5-dibromo-2-(difluoromethoxy)-4-(trifluoromethylsulfanyl)benzene?
The canonical SMILES for 1,5-dibromo-2-(difluoromethoxy)-4-(trifluoromethylsulfanyl)benzene is FC(F)Oc1cc(SC(F)(F)F)c(Br)cc1Br.
What is the InChIKey of 1,5-dibromo-2-(difluoromethoxy)-4-(trifluoromethylsulfanyl)benzene?
The InChIKey is CVWXDUFANJMDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Br2F5OS/c9-3-1-4(10)6(17-8(13,14)15)2-5(3)16-7(11)12/h1-2,7H.
What are the key properties of 1,5-dibromo-2-(difluoromethoxy)-4-(trifluoromethylsulfanyl)benzene?
1,5-dibromo-2-(difluoromethoxy)-4-(trifluoromethylsulfanyl)benzene has a molecular weight of 401.98 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-2-(difluoromethoxy)-4-(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 118824768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).