1-bromo-4-(difluoromethyl)-2,5-dimethoxybenzene

C9H9BrF2O2 — CID 84711733

IUPAC1-bromo-4-(difluoromethyl)-2,5-dimethoxybenzene
SMILESCOc1cc(C(F)F)c(OC)cc1Br
InChIInChI=1S/C9H9BrF2O2/c1-13-7-4-6(10)8(14-2)3-5(7)9(11)12/h3-4,9H,1-2H3
InChIKeyVOHZSUPJFSXFPY-UHFFFAOYSA-N
MW267.07 g/mol
LogP3.40
Rot. Bonds3

About 1-bromo-4-(difluoromethyl)-2,5-dimethoxybenzene

1-bromo-4-(difluoromethyl)-2,5-dimethoxybenzene (PubChem CID 84711733) has the molecular formula C9H9BrF2O2 and a molecular weight of 267.07 g/mol. Its IUPAC name is 1-bromo-4-(difluoromethyl)-2,5-dimethoxybenzene.

Molecular Properties

Compound Name1-bromo-4-(difluoromethyl)-2,5-dimethoxybenzene
PubChem CID84711733
Molecular FormulaC9H9BrF2O2
Molecular Weight267.07 g/mol
Exact Mass265.98
IUPAC Name1-bromo-4-(difluoromethyl)-2,5-dimethoxybenzene
SMILESCOc1cc(C(F)F)c(OC)cc1Br
InChIInChI=1S/C9H9BrF2O2/c1-13-7-4-6(10)8(14-2)3-5(7)9(11)12/h3-4,9H,1-2H3
InChIKeyVOHZSUPJFSXFPY-UHFFFAOYSA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.07
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(difluoromethyl)-2,5-dimethoxybenzene?
The IUPAC name of 1-bromo-4-(difluoromethyl)-2,5-dimethoxybenzene (CID 84711733) is 1-bromo-4-(difluoromethyl)-2,5-dimethoxybenzene.
What is the SMILES notation for 1-bromo-4-(difluoromethyl)-2,5-dimethoxybenzene?
The canonical SMILES for 1-bromo-4-(difluoromethyl)-2,5-dimethoxybenzene is COc1cc(C(F)F)c(OC)cc1Br.
What is the InChIKey of 1-bromo-4-(difluoromethyl)-2,5-dimethoxybenzene?
The InChIKey is VOHZSUPJFSXFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2O2/c1-13-7-4-6(10)8(14-2)3-5(7)9(11)12/h3-4,9H,1-2H3.
What are the key properties of 1-bromo-4-(difluoromethyl)-2,5-dimethoxybenzene?
1-bromo-4-(difluoromethyl)-2,5-dimethoxybenzene has a molecular weight of 267.07 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(difluoromethyl)-2,5-dimethoxybenzene is sourced from PubChem (CID 84711733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).