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

C8H4Br2F4O — CID 118995669

IUPAC2,5-dibromo-1-(difluoromethoxy)-3-(difluoromethyl)benzene
SMILESFC(F)Oc1cc(Br)cc(C(F)F)c1Br
InChIInChI=1S/C8H4Br2F4O/c9-3-1-4(7(11)12)6(10)5(2-3)15-8(13)14/h1-2,7-8H
InChIKeyRPCIPMCHSMPESZ-UHFFFAOYSA-N
MW351.92 g/mol
LogP4.75
Rot. Bonds3

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

2,5-dibromo-1-(difluoromethoxy)-3-(difluoromethyl)benzene (PubChem CID 118995669) has the molecular formula C8H4Br2F4O and a molecular weight of 351.92 g/mol. Its IUPAC name is 2,5-dibromo-1-(difluoromethoxy)-3-(difluoromethyl)benzene.

Molecular Properties

Compound Name2,5-dibromo-1-(difluoromethoxy)-3-(difluoromethyl)benzene
PubChem CID118995669
Molecular FormulaC8H4Br2F4O
Molecular Weight351.92 g/mol
Exact Mass349.86
IUPAC Name2,5-dibromo-1-(difluoromethoxy)-3-(difluoromethyl)benzene
SMILESFC(F)Oc1cc(Br)cc(C(F)F)c1Br
InChIInChI=1S/C8H4Br2F4O/c9-3-1-4(7(11)12)6(10)5(2-3)15-8(13)14/h1-2,7-8H
InChIKeyRPCIPMCHSMPESZ-UHFFFAOYSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.92
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,5-tribromo-3-(difluoromethoxy)benzene
CID 118826351
1,5-dibromo-3-(difluoromethoxy)-2-methoxybenzene
CID 119008038
4-bromo-2-(difluoromethoxy)-1-methylbenzene
CID 45158712
5-bromo-1-(difluoromethoxy)-2-methyl-3-nitrobenzene
CID 118805782
2,5-dichloro-1-(difluoromethoxy)-3-(difluoromethyl)benzene
CID 118995717
2-azido-1,5-dibromo-3-(difluoromethoxy)benzene
CID 152615033
4-bromo-2-(difluoromethoxy)-6-methylbenzoic acid
CID 131547586
2-[3,4-dibromo-5-(difluoromethoxy)phenyl]acetonitrile
CID 121227965
N-[2,4-dibromo-6-(difluoromethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169371215
2-bromo-1-(difluoromethoxy)-3-methyl-5-nitrobenzene
CID 118995767
1-[2-bromo-6-(difluoromethoxy)-3-(difluoromethyl)phenyl]ethanone
CID 171032948
4-bromo-2-chloro-1-(difluoromethoxy)benzene
CID 46311538

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-1-(difluoromethoxy)-3-(difluoromethyl)benzene?
The IUPAC name of 2,5-dibromo-1-(difluoromethoxy)-3-(difluoromethyl)benzene (CID 118995669) is 2,5-dibromo-1-(difluoromethoxy)-3-(difluoromethyl)benzene.
What is the SMILES notation for 2,5-dibromo-1-(difluoromethoxy)-3-(difluoromethyl)benzene?
The canonical SMILES for 2,5-dibromo-1-(difluoromethoxy)-3-(difluoromethyl)benzene is FC(F)Oc1cc(Br)cc(C(F)F)c1Br.
What is the InChIKey of 2,5-dibromo-1-(difluoromethoxy)-3-(difluoromethyl)benzene?
The InChIKey is RPCIPMCHSMPESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2F4O/c9-3-1-4(7(11)12)6(10)5(2-3)15-8(13)14/h1-2,7-8H.
What are the key properties of 2,5-dibromo-1-(difluoromethoxy)-3-(difluoromethyl)benzene?
2,5-dibromo-1-(difluoromethoxy)-3-(difluoromethyl)benzene has a molecular weight of 351.92 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-1-(difluoromethoxy)-3-(difluoromethyl)benzene is sourced from PubChem (CID 118995669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).