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

C10H9Br2FO2 — CID 166641962

IUPAC1-bromo-3-[4-bromo-2-(fluoromethoxy)phenyl]propan-2-one
SMILESO=C(CBr)Cc1ccc(Br)cc1OCF
InChIInChI=1S/C10H9Br2FO2/c11-5-9(14)3-7-1-2-8(12)4-10(7)15-6-13/h1-2,4H,3,5-6H2
InChIKeyKEIOHHXJFRNAFP-UHFFFAOYSA-N
MW339.99 g/mol
LogP3.26
Rot. Bonds5

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

1-bromo-3-[4-bromo-2-(fluoromethoxy)phenyl]propan-2-one (PubChem CID 166641962) has the molecular formula C10H9Br2FO2 and a molecular weight of 339.99 g/mol. Its IUPAC name is 1-bromo-3-[4-bromo-2-(fluoromethoxy)phenyl]propan-2-one.

Molecular Properties

Compound Name1-bromo-3-[4-bromo-2-(fluoromethoxy)phenyl]propan-2-one
PubChem CID166641962
Molecular FormulaC10H9Br2FO2
Molecular Weight339.99 g/mol
Exact Mass337.90
IUPAC Name1-bromo-3-[4-bromo-2-(fluoromethoxy)phenyl]propan-2-one
SMILESO=C(CBr)Cc1ccc(Br)cc1OCF
InChIInChI=1S/C10H9Br2FO2/c11-5-9(14)3-7-1-2-8(12)4-10(7)15-6-13/h1-2,4H,3,5-6H2
InChIKeyKEIOHHXJFRNAFP-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.99
LogP ≤ 53.26
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-chloro-2-(fluoromethoxy)phenyl]propan-2-one
CID 134616747
1-bromo-3-[4-bromo-2-(fluoromethyl)phenyl]propan-2-one
CID 134616727
4-bromo-2-(fluoromethoxy)benzoic acid
CID 172802099
1-bromo-3-(2,5-dibromophenyl)propan-2-one
CID 130837160
1-bromo-3-[4-bromo-2-(chloromethyl)phenyl]propan-2-one
CID 131323890
1-bromo-3-[3-chloro-4-(fluoromethoxy)phenyl]propan-2-one
CID 134616533
1-[4-bromo-2-(fluoromethoxy)phenyl]propan-1-one
CID 118852695
1-bromo-3-[4-(difluoromethyl)-2-ethoxyphenyl]propan-2-one
CID 134616696
4-bromo-2-(fluoromethoxy)benzaldehyde
CID 87676781
2-[4-bromo-2-(trifluoromethoxy)phenyl]acetic acid
CID 68846463
2-(5-bromo-2-ethylphenoxy)acetic acid
CID 151411352
2-[4-(3-bromo-2-oxopropyl)-3-ethoxyphenyl]-2-hydroxyacetic acid
CID 134656923

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[4-bromo-2-(fluoromethoxy)phenyl]propan-2-one?
The IUPAC name of 1-bromo-3-[4-bromo-2-(fluoromethoxy)phenyl]propan-2-one (CID 166641962) is 1-bromo-3-[4-bromo-2-(fluoromethoxy)phenyl]propan-2-one.
What is the SMILES notation for 1-bromo-3-[4-bromo-2-(fluoromethoxy)phenyl]propan-2-one?
The canonical SMILES for 1-bromo-3-[4-bromo-2-(fluoromethoxy)phenyl]propan-2-one is O=C(CBr)Cc1ccc(Br)cc1OCF.
What is the InChIKey of 1-bromo-3-[4-bromo-2-(fluoromethoxy)phenyl]propan-2-one?
The InChIKey is KEIOHHXJFRNAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2FO2/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-bromo-2-(fluoromethoxy)phenyl]propan-2-one?
1-bromo-3-[4-bromo-2-(fluoromethoxy)phenyl]propan-2-one has a molecular weight of 339.99 g/mol, XLogP of 3.26, 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-bromo-2-(fluoromethoxy)phenyl]propan-2-one is sourced from PubChem (CID 166641962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).