1-bromo-3-(difluoromethyl)-4-methoxy-2,5-dimethylbenzene

C10H11BrF2O — CID 84711341

IUPAC1-bromo-3-(difluoromethyl)-4-methoxy-2,5-dimethylbenzene
SMILESCOc1c(C)cc(Br)c(C)c1C(F)F
InChIInChI=1S/C10H11BrF2O/c1-5-4-7(11)6(2)8(10(12)13)9(5)14-3/h4,10H,1-3H3
InChIKeyZNLKNENLVMTLMH-UHFFFAOYSA-N
MW265.10 g/mol
LogP4.01
Rot. Bonds2

About 1-bromo-3-(difluoromethyl)-4-methoxy-2,5-dimethylbenzene

1-bromo-3-(difluoromethyl)-4-methoxy-2,5-dimethylbenzene (PubChem CID 84711341) has the molecular formula C10H11BrF2O and a molecular weight of 265.10 g/mol. Its IUPAC name is 1-bromo-3-(difluoromethyl)-4-methoxy-2,5-dimethylbenzene.

Molecular Properties

Compound Name1-bromo-3-(difluoromethyl)-4-methoxy-2,5-dimethylbenzene
PubChem CID84711341
Molecular FormulaC10H11BrF2O
Molecular Weight265.10 g/mol
Exact Mass264.00
IUPAC Name1-bromo-3-(difluoromethyl)-4-methoxy-2,5-dimethylbenzene
SMILESCOc1c(C)cc(Br)c(C)c1C(F)F
InChIInChI=1S/C10H11BrF2O/c1-5-4-7(11)6(2)8(10(12)13)9(5)14-3/h4,10H,1-3H3
InChIKeyZNLKNENLVMTLMH-UHFFFAOYSA-N
XLogP4.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(difluoromethyl)-4-methoxy-2,5-dimethylbenzene?
The IUPAC name of 1-bromo-3-(difluoromethyl)-4-methoxy-2,5-dimethylbenzene (CID 84711341) is 1-bromo-3-(difluoromethyl)-4-methoxy-2,5-dimethylbenzene.
What is the SMILES notation for 1-bromo-3-(difluoromethyl)-4-methoxy-2,5-dimethylbenzene?
The canonical SMILES for 1-bromo-3-(difluoromethyl)-4-methoxy-2,5-dimethylbenzene is COc1c(C)cc(Br)c(C)c1C(F)F.
What is the InChIKey of 1-bromo-3-(difluoromethyl)-4-methoxy-2,5-dimethylbenzene?
The InChIKey is ZNLKNENLVMTLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2O/c1-5-4-7(11)6(2)8(10(12)13)9(5)14-3/h4,10H,1-3H3.
What are the key properties of 1-bromo-3-(difluoromethyl)-4-methoxy-2,5-dimethylbenzene?
1-bromo-3-(difluoromethyl)-4-methoxy-2,5-dimethylbenzene has a molecular weight of 265.10 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(difluoromethyl)-4-methoxy-2,5-dimethylbenzene is sourced from PubChem (CID 84711341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).