2-bromo-1-[2-(bromomethyl)-6-(difluoromethoxy)phenyl]propan-1-one

C11H10Br2F2O2 — CID 134618563

IUPAC2-bromo-1-[2-(bromomethyl)-6-(difluoromethoxy)phenyl]propan-1-one
SMILESCC(Br)C(=O)c1c(CBr)cccc1OC(F)F
InChIInChI=1S/C11H10Br2F2O2/c1-6(13)10(16)9-7(5-12)3-2-4-8(9)17-11(14)15/h2-4,6,11H,5H2,1H3
InChIKeyCJTDUHBYXUGVIV-UHFFFAOYSA-N
MW372.00 g/mol
LogP4.15
Rot. Bonds5

About 2-bromo-1-[2-(bromomethyl)-6-(difluoromethoxy)phenyl]propan-1-one

2-bromo-1-[2-(bromomethyl)-6-(difluoromethoxy)phenyl]propan-1-one (PubChem CID 134618563) has the molecular formula C11H10Br2F2O2 and a molecular weight of 372.00 g/mol. Its IUPAC name is 2-bromo-1-[2-(bromomethyl)-6-(difluoromethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name2-bromo-1-[2-(bromomethyl)-6-(difluoromethoxy)phenyl]propan-1-one
PubChem CID134618563
Molecular FormulaC11H10Br2F2O2
Molecular Weight372.00 g/mol
Exact Mass369.90
IUPAC Name2-bromo-1-[2-(bromomethyl)-6-(difluoromethoxy)phenyl]propan-1-one
SMILESCC(Br)C(=O)c1c(CBr)cccc1OC(F)F
InChIInChI=1S/C11H10Br2F2O2/c1-6(13)10(16)9-7(5-12)3-2-4-8(9)17-11(14)15/h2-4,6,11H,5H2,1H3
InChIKeyCJTDUHBYXUGVIV-UHFFFAOYSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.00
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-bromo-1-[2-(bromomethyl)-6-(difluoromethoxy)phenyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-1-[2-(difluoromethoxy)-6-methylsulfanylphenyl]propan-1-one
CID 134618599
methyl 2-(3-bromopropyl)-6-(difluoromethoxy)benzoate
CID 134649446
2-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]propan-1-one
CID 134619294
1-bromo-3-[3-(difluoromethoxy)-2-methylphenyl]propan-2-one
CID 134616416
2-[3-(bromomethyl)-2-(2-bromopropanoyl)phenyl]-2-hydroxyacetic acid
CID 134655912
2-bromo-1-[3-(bromomethyl)-2-fluorophenyl]propan-1-one
CID 130924550
2-(2-bromopropanoyl)-6-(difluoromethoxy)benzonitrile
CID 170838169
2-bromo-1-[2-bromo-6-(fluoromethyl)phenyl]propan-1-one
CID 131092221
3-bromo-1-[2-(difluoromethoxy)-6-iodophenyl]propan-1-one
CID 134625152
2-[2-(2-bromopropanoyl)-3-hydroxyphenyl]acetic acid
CID 170837899
methyl 2-(difluoromethoxy)-6-(3-methoxy-3-oxopropyl)benzoate
CID 134649355
3-bromo-1-[2-(difluoromethoxy)-6-(trifluoromethoxy)phenyl]propan-1-one
CID 134625148

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[2-(bromomethyl)-6-(difluoromethoxy)phenyl]propan-1-one?
The IUPAC name of 2-bromo-1-[2-(bromomethyl)-6-(difluoromethoxy)phenyl]propan-1-one (CID 134618563) is 2-bromo-1-[2-(bromomethyl)-6-(difluoromethoxy)phenyl]propan-1-one.
What is the SMILES notation for 2-bromo-1-[2-(bromomethyl)-6-(difluoromethoxy)phenyl]propan-1-one?
The canonical SMILES for 2-bromo-1-[2-(bromomethyl)-6-(difluoromethoxy)phenyl]propan-1-one is CC(Br)C(=O)c1c(CBr)cccc1OC(F)F.
What is the InChIKey of 2-bromo-1-[2-(bromomethyl)-6-(difluoromethoxy)phenyl]propan-1-one?
The InChIKey is CJTDUHBYXUGVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2F2O2/c1-6(13)10(16)9-7(5-12)3-2-4-8(9)17-11(14)15/h2-4,6,11H,5H2,1H3.
What are the key properties of 2-bromo-1-[2-(bromomethyl)-6-(difluoromethoxy)phenyl]propan-1-one?
2-bromo-1-[2-(bromomethyl)-6-(difluoromethoxy)phenyl]propan-1-one has a molecular weight of 372.00 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[2-(bromomethyl)-6-(difluoromethoxy)phenyl]propan-1-one is sourced from PubChem (CID 134618563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).