1-bromo-4-[difluoro(methoxy)methyl]benzene

C8H7BrF2O — CID 58488279

IUPAC1-bromo-4-[difluoro(methoxy)methyl]benzene
SMILESCOC(F)(F)c1ccc(Br)cc1
InChIInChI=1S/C8H7BrF2O/c1-12-8(10,11)6-2-4-7(9)5-3-6/h2-5H,1H3
InChIKeyXACPVAIECFJINJ-UHFFFAOYSA-N
MW237.04 g/mol
LogP3.14
Rot. Bonds2

About 1-bromo-4-[difluoro(methoxy)methyl]benzene

1-bromo-4-[difluoro(methoxy)methyl]benzene (PubChem CID 58488279) has the molecular formula C8H7BrF2O and a molecular weight of 237.04 g/mol. Its IUPAC name is 1-bromo-4-[difluoro(methoxy)methyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[difluoro(methoxy)methyl]benzene
PubChem CID58488279
Molecular FormulaC8H7BrF2O
Molecular Weight237.04 g/mol
Exact Mass235.96
IUPAC Name1-bromo-4-[difluoro(methoxy)methyl]benzene
SMILESCOC(F)(F)c1ccc(Br)cc1
InChIInChI=1S/C8H7BrF2O/c1-12-8(10,11)6-2-4-7(9)5-3-6/h2-5H,1H3
InChIKeyXACPVAIECFJINJ-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[difluoro(methoxy)methyl]benzene?
The IUPAC name of 1-bromo-4-[difluoro(methoxy)methyl]benzene (CID 58488279) is 1-bromo-4-[difluoro(methoxy)methyl]benzene.
What is the SMILES notation for 1-bromo-4-[difluoro(methoxy)methyl]benzene?
The canonical SMILES for 1-bromo-4-[difluoro(methoxy)methyl]benzene is COC(F)(F)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[difluoro(methoxy)methyl]benzene?
The InChIKey is XACPVAIECFJINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2O/c1-12-8(10,11)6-2-4-7(9)5-3-6/h2-5H,1H3.
What are the key properties of 1-bromo-4-[difluoro(methoxy)methyl]benzene?
1-bromo-4-[difluoro(methoxy)methyl]benzene has a molecular weight of 237.04 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[difluoro(methoxy)methyl]benzene is sourced from PubChem (CID 58488279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).