1,5-dibromo-3-(difluoromethoxy)-2-methoxybenzene

C8H6Br2F2O2 — CID 119008038

IUPAC1,5-dibromo-3-(difluoromethoxy)-2-methoxybenzene
SMILESCOc1c(Br)cc(Br)cc1OC(F)F
InChIInChI=1S/C8H6Br2F2O2/c1-13-7-5(10)2-4(9)3-6(7)14-8(11)12/h2-3,8H,1H3
InChIKeyIIGNASLJWMIUPF-UHFFFAOYSA-N
MW331.94 g/mol
LogP3.82
Rot. Bonds3

About 1,5-dibromo-3-(difluoromethoxy)-2-methoxybenzene

1,5-dibromo-3-(difluoromethoxy)-2-methoxybenzene (PubChem CID 119008038) has the molecular formula C8H6Br2F2O2 and a molecular weight of 331.94 g/mol. Its IUPAC name is 1,5-dibromo-3-(difluoromethoxy)-2-methoxybenzene.

Molecular Properties

Compound Name1,5-dibromo-3-(difluoromethoxy)-2-methoxybenzene
PubChem CID119008038
Molecular FormulaC8H6Br2F2O2
Molecular Weight331.94 g/mol
Exact Mass329.87
IUPAC Name1,5-dibromo-3-(difluoromethoxy)-2-methoxybenzene
SMILESCOc1c(Br)cc(Br)cc1OC(F)F
InChIInChI=1S/C8H6Br2F2O2/c1-13-7-5(10)2-4(9)3-6(7)14-8(11)12/h2-3,8H,1H3
InChIKeyIIGNASLJWMIUPF-UHFFFAOYSA-N
XLogP3.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.94
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,5-tribromo-3-(difluoromethoxy)benzene
CID 118826351
1,5-dibromo-2-(3,5-dibromo-2-methoxyphenoxy)-3-methoxybenzene
CID 11978812
2-bromo-4-(difluoromethoxy)-5-methoxyaniline
CID 68604722
1,5-dibromo-3-(2,4-dibromophenoxy)-2-methoxybenzene
CID 15884894
1-[3,5-dibromo-2-(difluoromethoxy)phenyl]ethanone
CID 131291755
5-bromo-1,3-difluoro-2-methoxybenzene
CID 2773287
2-azido-1,5-dibromo-3-(difluoromethoxy)benzene
CID 152615033
1-(difluoromethoxy)-3-iodo-2,5-dimethoxybenzene
CID 118852977
2,5-dibromo-1-(difluoromethoxy)-3-(difluoromethyl)benzene
CID 118995669
4-bromo-2-(difluoromethoxy)-1-methylbenzene
CID 45158712
[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methanamine
CID 43622273
magnesium;5-bromo-1,2,3-trimethoxybenzene;hydride
CID 173037834

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-3-(difluoromethoxy)-2-methoxybenzene?
The IUPAC name of 1,5-dibromo-3-(difluoromethoxy)-2-methoxybenzene (CID 119008038) is 1,5-dibromo-3-(difluoromethoxy)-2-methoxybenzene.
What is the SMILES notation for 1,5-dibromo-3-(difluoromethoxy)-2-methoxybenzene?
The canonical SMILES for 1,5-dibromo-3-(difluoromethoxy)-2-methoxybenzene is COc1c(Br)cc(Br)cc1OC(F)F.
What is the InChIKey of 1,5-dibromo-3-(difluoromethoxy)-2-methoxybenzene?
The InChIKey is IIGNASLJWMIUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2F2O2/c1-13-7-5(10)2-4(9)3-6(7)14-8(11)12/h2-3,8H,1H3.
What are the key properties of 1,5-dibromo-3-(difluoromethoxy)-2-methoxybenzene?
1,5-dibromo-3-(difluoromethoxy)-2-methoxybenzene has a molecular weight of 331.94 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-3-(difluoromethoxy)-2-methoxybenzene is sourced from PubChem (CID 119008038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).