1,4-dibromo-2-(difluoromethoxy)-3-methylbenzene

C8H6Br2F2O — CID 131188890

IUPAC1,4-dibromo-2-(difluoromethoxy)-3-methylbenzene
SMILESCc1c(Br)ccc(Br)c1OC(F)F
InChIInChI=1S/C8H6Br2F2O/c1-4-5(9)2-3-6(10)7(4)13-8(11)12/h2-3,8H,1H3
InChIKeySIDVIAOINUBJNV-UHFFFAOYSA-N
MW315.94 g/mol
LogP4.12
Rot. Bonds2

About 1,4-dibromo-2-(difluoromethoxy)-3-methylbenzene

1,4-dibromo-2-(difluoromethoxy)-3-methylbenzene (PubChem CID 131188890) has the molecular formula C8H6Br2F2O and a molecular weight of 315.94 g/mol. Its IUPAC name is 1,4-dibromo-2-(difluoromethoxy)-3-methylbenzene.

Molecular Properties

Compound Name1,4-dibromo-2-(difluoromethoxy)-3-methylbenzene
PubChem CID131188890
Molecular FormulaC8H6Br2F2O
Molecular Weight315.94 g/mol
Exact Mass313.88
IUPAC Name1,4-dibromo-2-(difluoromethoxy)-3-methylbenzene
SMILESCc1c(Br)ccc(Br)c1OC(F)F
InChIInChI=1S/C8H6Br2F2O/c1-4-5(9)2-3-6(10)7(4)13-8(11)12/h2-3,8H,1H3
InChIKeySIDVIAOINUBJNV-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.94
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-chloro-2-(difluoromethoxy)-4-methylbenzene
CID 164895658
1,4-dibromo-2-(difluoromethoxy)-3-iodobenzene
CID 118813499
1,2-dibromo-4-(difluoromethoxy)-3-methylbenzene
CID 118820826
methyl 3-bromo-2-(difluoromethoxy)-6-methylbenzoate
CID 171010650
1,3-dibromo-4-(chloromethyl)-2-(difluoromethoxy)benzene
CID 118990809
1-[6-amino-3-bromo-2-(difluoromethoxy)phenyl]ethanone
CID 171026919
4-bromo-2-(difluoromethoxy)-3-fluorophenol
CID 118834241
methyl 2-[3,6-dibromo-2-(difluoromethoxy)phenyl]acetate
CID 134634806
ethyl 2-[2-amino-4-bromo-3-(difluoromethoxy)phenyl]acetate
CID 171019944
ethyl 4-bromo-2-chloro-3-(difluoromethoxy)benzoate
CID 171006653
2-amino-4-bromo-3-(difluoromethoxy)benzonitrile
CID 171013764
1-bromo-2-(difluoromethoxy)-4-fluoro-3-nitrobenzene
CID 118841609

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-(difluoromethoxy)-3-methylbenzene?
The IUPAC name of 1,4-dibromo-2-(difluoromethoxy)-3-methylbenzene (CID 131188890) is 1,4-dibromo-2-(difluoromethoxy)-3-methylbenzene.
What is the SMILES notation for 1,4-dibromo-2-(difluoromethoxy)-3-methylbenzene?
The canonical SMILES for 1,4-dibromo-2-(difluoromethoxy)-3-methylbenzene is Cc1c(Br)ccc(Br)c1OC(F)F.
What is the InChIKey of 1,4-dibromo-2-(difluoromethoxy)-3-methylbenzene?
The InChIKey is SIDVIAOINUBJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2F2O/c1-4-5(9)2-3-6(10)7(4)13-8(11)12/h2-3,8H,1H3.
What are the key properties of 1,4-dibromo-2-(difluoromethoxy)-3-methylbenzene?
1,4-dibromo-2-(difluoromethoxy)-3-methylbenzene has a molecular weight of 315.94 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-(difluoromethoxy)-3-methylbenzene is sourced from PubChem (CID 131188890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).