2-bromo-1-(2-ethoxy-5-fluorophenyl)propan-1-one

C11H12BrFO2 — CID 134618705

IUPAC2-bromo-1-(2-ethoxy-5-fluorophenyl)propan-1-one
SMILESCCOc1ccc(F)cc1C(=O)C(C)Br
InChIInChI=1S/C11H12BrFO2/c1-3-15-10-5-4-8(13)6-9(10)11(14)7(2)12/h4-7H,3H2,1-2H3
InChIKeyVOETZMGSGGXWSW-UHFFFAOYSA-N
MW275.12 g/mol
LogP3.19
Rot. Bonds4

About 2-bromo-1-(2-ethoxy-5-fluorophenyl)propan-1-one

2-bromo-1-(2-ethoxy-5-fluorophenyl)propan-1-one (PubChem CID 134618705) has the molecular formula C11H12BrFO2 and a molecular weight of 275.12 g/mol. Its IUPAC name is 2-bromo-1-(2-ethoxy-5-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-bromo-1-(2-ethoxy-5-fluorophenyl)propan-1-one
PubChem CID134618705
Molecular FormulaC11H12BrFO2
Molecular Weight275.12 g/mol
Exact Mass274.00
IUPAC Name2-bromo-1-(2-ethoxy-5-fluorophenyl)propan-1-one
SMILESCCOc1ccc(F)cc1C(=O)C(C)Br
InChIInChI=1S/C11H12BrFO2/c1-3-15-10-5-4-8(13)6-9(10)11(14)7(2)12/h4-7H,3H2,1-2H3
InChIKeyVOETZMGSGGXWSW-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
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

2-bromo-1-(3-ethoxy-2-fluorophenyl)propan-1-one
CID 134618855
2-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]propan-1-one
CID 134619294
2-bromo-1-[5-fluoro-2-(trifluoromethoxy)phenyl]propan-1-one
CID 119018750
4-chloro-1-(2-ethoxy-5-fluorophenyl)butan-1-one
CID 82268262
(2S)-2-bromo-1-(2,4-difluorophenyl)propan-1-one
CID 9106630
2-bromo-1-[2-(difluoromethyl)-5-ethoxyphenyl]propan-1-one
CID 134618617
(E)-4-(2-ethoxy-5-fluorophenyl)pent-3-enoic acid
CID 83959422
1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474
2-bromo-N-[1-(3,4-diethoxyphenyl)ethyl]-5-fluorobenzamide
CID 43022804
2-bromo-1-[3-ethoxy-4-(trifluoromethyl)phenyl]propan-1-one
CID 134618862
3-bromo-4-(2-ethoxy-5-methylphenyl)-4-oxobutanoic acid
CID 79785893
2-bromo-1-(3-bromo-2-ethoxyphenyl)propan-1-one
CID 134618841

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-ethoxy-5-fluorophenyl)propan-1-one?
The IUPAC name of 2-bromo-1-(2-ethoxy-5-fluorophenyl)propan-1-one (CID 134618705) is 2-bromo-1-(2-ethoxy-5-fluorophenyl)propan-1-one.
What is the SMILES notation for 2-bromo-1-(2-ethoxy-5-fluorophenyl)propan-1-one?
The canonical SMILES for 2-bromo-1-(2-ethoxy-5-fluorophenyl)propan-1-one is CCOc1ccc(F)cc1C(=O)C(C)Br.
What is the InChIKey of 2-bromo-1-(2-ethoxy-5-fluorophenyl)propan-1-one?
The InChIKey is VOETZMGSGGXWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO2/c1-3-15-10-5-4-8(13)6-9(10)11(14)7(2)12/h4-7H,3H2,1-2H3.
What are the key properties of 2-bromo-1-(2-ethoxy-5-fluorophenyl)propan-1-one?
2-bromo-1-(2-ethoxy-5-fluorophenyl)propan-1-one has a molecular weight of 275.12 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-ethoxy-5-fluorophenyl)propan-1-one is sourced from PubChem (CID 134618705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).