1,2-dibromo-4-(difluoromethoxy)-3-(trifluoromethyl)benzene

C8H3Br2F5O — CID 118837715

IUPAC1,2-dibromo-4-(difluoromethoxy)-3-(trifluoromethyl)benzene
SMILESFC(F)Oc1ccc(Br)c(Br)c1C(F)(F)F
InChIInChI=1S/C8H3Br2F5O/c9-3-1-2-4(16-7(11)12)5(6(3)10)8(13,14)15/h1-2,7H
InChIKeyAVYYJBITEMEUPC-UHFFFAOYSA-N
MW369.91 g/mol
LogP4.83
Rot. Bonds2

About 1,2-dibromo-4-(difluoromethoxy)-3-(trifluoromethyl)benzene

1,2-dibromo-4-(difluoromethoxy)-3-(trifluoromethyl)benzene (PubChem CID 118837715) has the molecular formula C8H3Br2F5O and a molecular weight of 369.91 g/mol. Its IUPAC name is 1,2-dibromo-4-(difluoromethoxy)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,2-dibromo-4-(difluoromethoxy)-3-(trifluoromethyl)benzene
PubChem CID118837715
Molecular FormulaC8H3Br2F5O
Molecular Weight369.91 g/mol
Exact Mass367.85
IUPAC Name1,2-dibromo-4-(difluoromethoxy)-3-(trifluoromethyl)benzene
SMILESFC(F)Oc1ccc(Br)c(Br)c1C(F)(F)F
InChIInChI=1S/C8H3Br2F5O/c9-3-1-2-4(16-7(11)12)5(6(3)10)8(13,14)15/h1-2,7H
InChIKeyAVYYJBITEMEUPC-UHFFFAOYSA-N
XLogP4.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.91
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-4-(difluoromethoxy)-3-(trifluoromethyl)benzene?
The IUPAC name of 1,2-dibromo-4-(difluoromethoxy)-3-(trifluoromethyl)benzene (CID 118837715) is 1,2-dibromo-4-(difluoromethoxy)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1,2-dibromo-4-(difluoromethoxy)-3-(trifluoromethyl)benzene?
The canonical SMILES for 1,2-dibromo-4-(difluoromethoxy)-3-(trifluoromethyl)benzene is FC(F)Oc1ccc(Br)c(Br)c1C(F)(F)F.
What is the InChIKey of 1,2-dibromo-4-(difluoromethoxy)-3-(trifluoromethyl)benzene?
The InChIKey is AVYYJBITEMEUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Br2F5O/c9-3-1-2-4(16-7(11)12)5(6(3)10)8(13,14)15/h1-2,7H.
What are the key properties of 1,2-dibromo-4-(difluoromethoxy)-3-(trifluoromethyl)benzene?
1,2-dibromo-4-(difluoromethoxy)-3-(trifluoromethyl)benzene has a molecular weight of 369.91 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-4-(difluoromethoxy)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 118837715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).