4-(5-bromo-2-fluorophenyl)-1-methoxybutan-2-one

C11H12BrFO2 — CID 62320547

IUPAC4-(5-bromo-2-fluorophenyl)-1-methoxybutan-2-one
SMILESCOCC(=O)CCc1cc(Br)ccc1F
InChIInChI=1S/C11H12BrFO2/c1-15-7-10(14)4-2-8-6-9(12)3-5-11(8)13/h3,5-6H,2,4,7H2,1H3
InChIKeyZWYHISLCLVJRPS-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.74
Rot. Bonds5

About 4-(5-bromo-2-fluorophenyl)-1-methoxybutan-2-one

4-(5-bromo-2-fluorophenyl)-1-methoxybutan-2-one (PubChem CID 62320547) has the molecular formula C11H12BrFO2 and a molecular weight of 275.12 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)-1-methoxybutan-2-one.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)-1-methoxybutan-2-one
PubChem CID62320547
Molecular FormulaC11H12BrFO2
Molecular Weight275.12 g/mol
Exact Mass274.00
IUPAC Name4-(5-bromo-2-fluorophenyl)-1-methoxybutan-2-one
SMILESCOCC(=O)CCc1cc(Br)ccc1F
InChIInChI=1S/C11H12BrFO2/c1-15-7-10(14)4-2-8-6-9(12)3-5-11(8)13/h3,5-6H,2,4,7H2,1H3
InChIKeyZWYHISLCLVJRPS-UHFFFAOYSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,5-difluorophenyl)-1-methoxybutan-2-one
CID 62320357
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CID 62621749
4-(4-aminophenyl)-1-(5-bromo-2-fluorophenyl)butan-2-one
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CID 22641025
N-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylacetamide
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ethyl N-[2-(5-bromo-2-fluorophenyl)ethyl]carbamate
CID 110792453
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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenyl)-1-methoxybutan-2-one?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)-1-methoxybutan-2-one (CID 62320547) is 4-(5-bromo-2-fluorophenyl)-1-methoxybutan-2-one.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)-1-methoxybutan-2-one?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)-1-methoxybutan-2-one is COCC(=O)CCc1cc(Br)ccc1F.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)-1-methoxybutan-2-one?
The InChIKey is ZWYHISLCLVJRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO2/c1-15-7-10(14)4-2-8-6-9(12)3-5-11(8)13/h3,5-6H,2,4,7H2,1H3.
What are the key properties of 4-(5-bromo-2-fluorophenyl)-1-methoxybutan-2-one?
4-(5-bromo-2-fluorophenyl)-1-methoxybutan-2-one has a molecular weight of 275.12 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenyl)-1-methoxybutan-2-one is sourced from PubChem (CID 62320547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).