1-bromo-3-[4-chloro-2-(fluoromethoxy)phenyl]propan-2-one

C10H9BrClFO2 — CID 134616747

IUPAC1-bromo-3-[4-chloro-2-(fluoromethoxy)phenyl]propan-2-one
SMILESO=C(CBr)Cc1ccc(Cl)cc1OCF
InChIInChI=1S/C10H9BrClFO2/c11-5-9(14)3-7-1-2-8(12)4-10(7)15-6-13/h1-2,4H,3,5-6H2
InChIKeyJVMRFWFGGYCHAC-UHFFFAOYSA-N
MW295.54 g/mol
LogP3.15
Rot. Bonds5

About 1-bromo-3-[4-chloro-2-(fluoromethoxy)phenyl]propan-2-one

1-bromo-3-[4-chloro-2-(fluoromethoxy)phenyl]propan-2-one (PubChem CID 134616747) has the molecular formula C10H9BrClFO2 and a molecular weight of 295.54 g/mol. Its IUPAC name is 1-bromo-3-[4-chloro-2-(fluoromethoxy)phenyl]propan-2-one.

Molecular Properties

Compound Name1-bromo-3-[4-chloro-2-(fluoromethoxy)phenyl]propan-2-one
PubChem CID134616747
Molecular FormulaC10H9BrClFO2
Molecular Weight295.54 g/mol
Exact Mass293.95
IUPAC Name1-bromo-3-[4-chloro-2-(fluoromethoxy)phenyl]propan-2-one
SMILESO=C(CBr)Cc1ccc(Cl)cc1OCF
InChIInChI=1S/C10H9BrClFO2/c11-5-9(14)3-7-1-2-8(12)4-10(7)15-6-13/h1-2,4H,3,5-6H2
InChIKeyJVMRFWFGGYCHAC-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.54
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-[4-bromo-2-(fluoromethoxy)phenyl]propan-2-one
CID 166641962
1-bromo-3-[3-chloro-4-(fluoromethoxy)phenyl]propan-2-one
CID 134616533
1-bromo-3-(4-chloro-2-ethylphenyl)propan-2-one
CID 134616753
2-(3-bromopropyl)-4-chloro-1-(fluoromethoxy)benzene
CID 118807576
1-bromo-3-[4-(difluoromethyl)-2-ethoxyphenyl]propan-2-one
CID 134616696
1-bromo-3-[2-(4-chlorophenoxy)phenyl]propan-2-one
CID 22998022
1-bromo-3-[2-chloro-4-(trifluoromethoxy)phenyl]propan-2-one
CID 134616227
4-chloro-2-fluoro-1-(fluoromethoxy)benzene
CID 67335232
1-bromo-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 131189515
fluoro 2-(2,4-dichlorophenyl)acetate
CID 144704595
1-bromo-3-(2-fluoro-4-hydroxyphenyl)propan-2-one
CID 131093105
1-chloro-3-[2-chloro-3-(fluoromethoxy)phenyl]propan-2-one
CID 170836566

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[4-chloro-2-(fluoromethoxy)phenyl]propan-2-one?
The IUPAC name of 1-bromo-3-[4-chloro-2-(fluoromethoxy)phenyl]propan-2-one (CID 134616747) is 1-bromo-3-[4-chloro-2-(fluoromethoxy)phenyl]propan-2-one.
What is the SMILES notation for 1-bromo-3-[4-chloro-2-(fluoromethoxy)phenyl]propan-2-one?
The canonical SMILES for 1-bromo-3-[4-chloro-2-(fluoromethoxy)phenyl]propan-2-one is O=C(CBr)Cc1ccc(Cl)cc1OCF.
What is the InChIKey of 1-bromo-3-[4-chloro-2-(fluoromethoxy)phenyl]propan-2-one?
The InChIKey is JVMRFWFGGYCHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClFO2/c11-5-9(14)3-7-1-2-8(12)4-10(7)15-6-13/h1-2,4H,3,5-6H2.
What are the key properties of 1-bromo-3-[4-chloro-2-(fluoromethoxy)phenyl]propan-2-one?
1-bromo-3-[4-chloro-2-(fluoromethoxy)phenyl]propan-2-one has a molecular weight of 295.54 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[4-chloro-2-(fluoromethoxy)phenyl]propan-2-one is sourced from PubChem (CID 134616747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).