1-bromo-1-[2-chloro-5-(fluoromethoxy)phenyl]propan-2-one

C10H9BrClFO2 — CID 131394535

IUPAC1-bromo-1-[2-chloro-5-(fluoromethoxy)phenyl]propan-2-one
SMILESCC(=O)C(Br)c1cc(OCF)ccc1Cl
InChIInChI=1S/C10H9BrClFO2/c1-6(14)10(11)8-4-7(15-5-13)2-3-9(8)12/h2-4,10H,5H2,1H3
InChIKeyCBZVAOMXXZYANN-UHFFFAOYSA-N
MW295.54 g/mol
LogP3.67
Rot. Bonds4

About 1-bromo-1-[2-chloro-5-(fluoromethoxy)phenyl]propan-2-one

1-bromo-1-[2-chloro-5-(fluoromethoxy)phenyl]propan-2-one (PubChem CID 131394535) has the molecular formula C10H9BrClFO2 and a molecular weight of 295.54 g/mol. Its IUPAC name is 1-bromo-1-[2-chloro-5-(fluoromethoxy)phenyl]propan-2-one.

Molecular Properties

Compound Name1-bromo-1-[2-chloro-5-(fluoromethoxy)phenyl]propan-2-one
PubChem CID131394535
Molecular FormulaC10H9BrClFO2
Molecular Weight295.54 g/mol
Exact Mass293.95
IUPAC Name1-bromo-1-[2-chloro-5-(fluoromethoxy)phenyl]propan-2-one
SMILESCC(=O)C(Br)c1cc(OCF)ccc1Cl
InChIInChI=1S/C10H9BrClFO2/c1-6(14)10(11)8-4-7(15-5-13)2-3-9(8)12/h2-4,10H,5H2,1H3
InChIKeyCBZVAOMXXZYANN-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.54
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-bromo-1-[2-chloro-5-(fluoromethoxy)phenyl]propan-2-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

1-bromo-1-(4-ethoxy-2-iodophenyl)propan-2-one
CID 131480490
1-bromo-1-(4-chloro-3-ethoxyphenyl)propan-2-one
CID 131452626
1-bromo-1-[2-ethoxy-5-(trifluoromethoxy)phenyl]propan-2-one
CID 134615762
1-bromo-1-[5-(difluoromethoxy)-2-fluorophenyl]propan-2-one
CID 131320765
3-[2-(1-bromo-2-oxopropyl)-4-ethoxyphenyl]prop-2-enoic acid
CID 170837136
1-chloro-1-(2-chloro-5-methoxyphenyl)propan-2-one
CID 131170136
methyl (2R)-2-[3-(1-bromoethyl)-4-chlorophenoxy]propanoate
CID 174470563
1-bromo-1-[5-(difluoromethoxy)-2-methylsulfanylphenyl]propan-2-one
CID 134616010
1-bromo-1-[5-chloro-2-(hydroxymethyl)phenyl]propan-2-one
CID 130864232
1-bromo-1-[2-ethoxy-4-(trifluoromethoxy)phenyl]propan-2-one
CID 134615758
1-bromo-1-[4-(difluoromethoxy)-2-methylsulfanylphenyl]propan-2-one
CID 134615938
1-bromo-1-[2-(bromomethyl)-3-chlorophenyl]propan-2-one
CID 131118990

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-[2-chloro-5-(fluoromethoxy)phenyl]propan-2-one?
The IUPAC name of 1-bromo-1-[2-chloro-5-(fluoromethoxy)phenyl]propan-2-one (CID 131394535) is 1-bromo-1-[2-chloro-5-(fluoromethoxy)phenyl]propan-2-one.
What is the SMILES notation for 1-bromo-1-[2-chloro-5-(fluoromethoxy)phenyl]propan-2-one?
The canonical SMILES for 1-bromo-1-[2-chloro-5-(fluoromethoxy)phenyl]propan-2-one is CC(=O)C(Br)c1cc(OCF)ccc1Cl.
What is the InChIKey of 1-bromo-1-[2-chloro-5-(fluoromethoxy)phenyl]propan-2-one?
The InChIKey is CBZVAOMXXZYANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClFO2/c1-6(14)10(11)8-4-7(15-5-13)2-3-9(8)12/h2-4,10H,5H2,1H3.
What are the key properties of 1-bromo-1-[2-chloro-5-(fluoromethoxy)phenyl]propan-2-one?
1-bromo-1-[2-chloro-5-(fluoromethoxy)phenyl]propan-2-one has a molecular weight of 295.54 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-[2-chloro-5-(fluoromethoxy)phenyl]propan-2-one is sourced from PubChem (CID 131394535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).