1-bromo-1-(4-fluoro-2-methoxyphenyl)propan-2-one

C10H10BrFO2 — CID 130773650

IUPAC1-bromo-1-(4-fluoro-2-methoxyphenyl)propan-2-one
SMILESCOc1cc(F)ccc1C(Br)C(C)=O
InChIInChI=1S/C10H10BrFO2/c1-6(13)10(11)8-4-3-7(12)5-9(8)14-2/h3-5,10H,1-2H3
InChIKeyUVPBUJMEEUMVTD-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.86
Rot. Bonds3

About 1-bromo-1-(4-fluoro-2-methoxyphenyl)propan-2-one

1-bromo-1-(4-fluoro-2-methoxyphenyl)propan-2-one (PubChem CID 130773650) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is 1-bromo-1-(4-fluoro-2-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-bromo-1-(4-fluoro-2-methoxyphenyl)propan-2-one
PubChem CID130773650
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Name1-bromo-1-(4-fluoro-2-methoxyphenyl)propan-2-one
SMILESCOc1cc(F)ccc1C(Br)C(C)=O
InChIInChI=1S/C10H10BrFO2/c1-6(13)10(11)8-4-3-7(12)5-9(8)14-2/h3-5,10H,1-2H3
InChIKeyUVPBUJMEEUMVTD-UHFFFAOYSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.86
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-1-(2-methoxy-4-methylphenyl)propan-2-one
CID 130779045
1-bromo-1-(4-fluoro-2-iodophenyl)propan-2-one
CID 130869021
1-bromo-1-(5-fluoro-2-methylsulfanylphenyl)propan-2-one
CID 130971478
methyl (2S)-2-amino-2-(4-fluoro-2-methoxyphenyl)acetate;hydrochloride
CID 171205347
2-bromo-2-(4-fluoro-2-methoxyphenyl)-1-(6-methoxy-5-methyl-1H-indol-3-yl)ethanone
CID 121254987
1-bromo-1-(4,5-dimethoxy-2-methylphenyl)propan-2-one
CID 116859802
1-(2,4-dimethylpentan-3-yl)-4-fluoro-2-methoxybenzene
CID 156645255
2-(4-fluoro-2-methoxyphenyl)propan-1-ol
CID 105426240
methyl (3S)-3-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 171243535
ethyl (3S)-3-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 171224920
N-(4-fluoro-2-methoxyphenyl)-N-methylacetamide
CID 134094138
2-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 79002336

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-(4-fluoro-2-methoxyphenyl)propan-2-one?
The IUPAC name of 1-bromo-1-(4-fluoro-2-methoxyphenyl)propan-2-one (CID 130773650) is 1-bromo-1-(4-fluoro-2-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-bromo-1-(4-fluoro-2-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-bromo-1-(4-fluoro-2-methoxyphenyl)propan-2-one is COc1cc(F)ccc1C(Br)C(C)=O.
What is the InChIKey of 1-bromo-1-(4-fluoro-2-methoxyphenyl)propan-2-one?
The InChIKey is UVPBUJMEEUMVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c1-6(13)10(11)8-4-3-7(12)5-9(8)14-2/h3-5,10H,1-2H3.
What are the key properties of 1-bromo-1-(4-fluoro-2-methoxyphenyl)propan-2-one?
1-bromo-1-(4-fluoro-2-methoxyphenyl)propan-2-one has a molecular weight of 261.09 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-(4-fluoro-2-methoxyphenyl)propan-2-one is sourced from PubChem (CID 130773650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).