1-(3-bromo-4-fluorophenyl)-1-ethoxypropan-2-one

C11H12BrFO2 — CID 83225605

IUPAC1-(3-bromo-4-fluorophenyl)-1-ethoxypropan-2-one
SMILESCCOC(C(C)=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H12BrFO2/c1-3-15-11(7(2)14)8-4-5-10(13)9(12)6-8/h4-6,11H,3H2,1-2H3
InChIKeyZVQZZDZUYMHRFZ-UHFFFAOYSA-N
MW275.12 g/mol
LogP3.25
Rot. Bonds4

About 1-(3-bromo-4-fluorophenyl)-1-ethoxypropan-2-one

1-(3-bromo-4-fluorophenyl)-1-ethoxypropan-2-one (PubChem CID 83225605) has the molecular formula C11H12BrFO2 and a molecular weight of 275.12 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-1-ethoxypropan-2-one.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-1-ethoxypropan-2-one
PubChem CID83225605
Molecular FormulaC11H12BrFO2
Molecular Weight275.12 g/mol
Exact Mass274.00
IUPAC Name1-(3-bromo-4-fluorophenyl)-1-ethoxypropan-2-one
SMILESCCOC(C(C)=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H12BrFO2/c1-3-15-11(7(2)14)8-4-5-10(13)9(12)6-8/h4-6,11H,3H2,1-2H3
InChIKeyZVQZZDZUYMHRFZ-UHFFFAOYSA-N
XLogP3.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-1-(3-fluoro-4-methylphenyl)propan-2-one
CID 83226180
1-(3-bromo-4-fluorophenyl)-1-propoxybutan-2-one
CID 83225505
1-(4-bromo-3-fluorophenyl)-1-methoxypropan-2-one
CID 83224753
1-(2-bromo-4-chlorophenyl)-1-ethoxypropan-2-one
CID 83225478
1-(3-chlorophenyl)-1-ethoxypropan-2-one
CID 83225095
1-(3,4-difluorophenyl)-1-ethoxypentan-2-one
CID 83226108
2-(3-bromo-4-fluorophenyl)pentan-3-one
CID 79308165
2-(3-chloro-4-fluorophenyl)-2-ethoxyacetic acid
CID 83224808
ethyl 4-amino-4-(3-bromo-4-fluorophenyl)butanoate
CID 79735551
1-(3-bromo-4-chlorophenyl)-1-ethoxybutan-2-one
CID 83241747
ethyl 3-(3-bromo-4-fluorophenyl)-3-(dimethylamino)propanoate
CID 64541807
1-(3,5-dimethylphenyl)-1-ethoxypropan-2-one
CID 83224960

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-1-ethoxypropan-2-one?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-1-ethoxypropan-2-one (CID 83225605) is 1-(3-bromo-4-fluorophenyl)-1-ethoxypropan-2-one.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-1-ethoxypropan-2-one?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-1-ethoxypropan-2-one is CCOC(C(C)=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-1-ethoxypropan-2-one?
The InChIKey is ZVQZZDZUYMHRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO2/c1-3-15-11(7(2)14)8-4-5-10(13)9(12)6-8/h4-6,11H,3H2,1-2H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-1-ethoxypropan-2-one?
1-(3-bromo-4-fluorophenyl)-1-ethoxypropan-2-one has a molecular weight of 275.12 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-1-ethoxypropan-2-one is sourced from PubChem (CID 83225605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).