1,3-dibromo-2-(difluoromethoxy)-5-(fluoromethoxy)benzene

C8H5Br2F3O2 — CID 118807710

IUPAC1,3-dibromo-2-(difluoromethoxy)-5-(fluoromethoxy)benzene
SMILESFCOc1cc(Br)c(OC(F)F)c(Br)c1
InChIInChI=1S/C8H5Br2F3O2/c9-5-1-4(14-3-11)2-6(10)7(5)15-8(12)13/h1-2,8H,3H2
InChIKeyOBCJTKDIOAZJHR-UHFFFAOYSA-N
MW349.93 g/mol
LogP4.12
Rot. Bonds4

About 1,3-dibromo-2-(difluoromethoxy)-5-(fluoromethoxy)benzene

1,3-dibromo-2-(difluoromethoxy)-5-(fluoromethoxy)benzene (PubChem CID 118807710) has the molecular formula C8H5Br2F3O2 and a molecular weight of 349.93 g/mol. Its IUPAC name is 1,3-dibromo-2-(difluoromethoxy)-5-(fluoromethoxy)benzene.

Molecular Properties

Compound Name1,3-dibromo-2-(difluoromethoxy)-5-(fluoromethoxy)benzene
PubChem CID118807710
Molecular FormulaC8H5Br2F3O2
Molecular Weight349.93 g/mol
Exact Mass347.86
IUPAC Name1,3-dibromo-2-(difluoromethoxy)-5-(fluoromethoxy)benzene
SMILESFCOc1cc(Br)c(OC(F)F)c(Br)c1
InChIInChI=1S/C8H5Br2F3O2/c9-5-1-4(14-3-11)2-6(10)7(5)15-8(12)13/h1-2,8H,3H2
InChIKeyOBCJTKDIOAZJHR-UHFFFAOYSA-N
XLogP4.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.93
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2-(difluoromethoxy)-5-(fluoromethoxy)benzene?
The IUPAC name of 1,3-dibromo-2-(difluoromethoxy)-5-(fluoromethoxy)benzene (CID 118807710) is 1,3-dibromo-2-(difluoromethoxy)-5-(fluoromethoxy)benzene.
What is the SMILES notation for 1,3-dibromo-2-(difluoromethoxy)-5-(fluoromethoxy)benzene?
The canonical SMILES for 1,3-dibromo-2-(difluoromethoxy)-5-(fluoromethoxy)benzene is FCOc1cc(Br)c(OC(F)F)c(Br)c1.
What is the InChIKey of 1,3-dibromo-2-(difluoromethoxy)-5-(fluoromethoxy)benzene?
The InChIKey is OBCJTKDIOAZJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2F3O2/c9-5-1-4(14-3-11)2-6(10)7(5)15-8(12)13/h1-2,8H,3H2.
What are the key properties of 1,3-dibromo-2-(difluoromethoxy)-5-(fluoromethoxy)benzene?
1,3-dibromo-2-(difluoromethoxy)-5-(fluoromethoxy)benzene has a molecular weight of 349.93 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2-(difluoromethoxy)-5-(fluoromethoxy)benzene is sourced from PubChem (CID 118807710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).