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

C10H10BrFO2 — CID 83224753

IUPAC1-(4-bromo-3-fluorophenyl)-1-methoxypropan-2-one
SMILESCOC(C(C)=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H10BrFO2/c1-6(13)10(14-2)7-3-4-8(11)9(12)5-7/h3-5,10H,1-2H3
InChIKeyKSCYUTINAQLNHQ-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.86
Rot. Bonds3

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

1-(4-bromo-3-fluorophenyl)-1-methoxypropan-2-one (PubChem CID 83224753) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-1-methoxypropan-2-one.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-1-methoxypropan-2-one
PubChem CID83224753
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Name1-(4-bromo-3-fluorophenyl)-1-methoxypropan-2-one
SMILESCOC(C(C)=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H10BrFO2/c1-6(13)10(14-2)7-3-4-8(11)9(12)5-7/h3-5,10H,1-2H3
InChIKeyKSCYUTINAQLNHQ-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

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Related Compounds

3-bromo-4-(4-bromo-3-fluorophenyl)pentan-2-one
CID 65436241
1-(3-bromo-4-fluorophenyl)-1-ethoxypropan-2-one
CID 83225605
4-amino-3-(4-bromo-3-fluorophenyl)butan-2-one
CID 77228789
2-(4-bromo-3-fluorophenyl)-2-propoxyacetic acid
CID 83224609
methyl 2-(4-bromo-3-fluorophenyl)-2-(methylamino)acetate
CID 81437181
methyl 3-(4-bromo-3-fluorophenyl)-3-chloro-2-oxopropanoate
CID 81440971
2-(4-bromo-3-fluorophenyl)-3-methoxypropanoic acid
CID 166470648
methyl (3S)-3-amino-3-(4-bromo-3-fluorophenyl)-2,2-dimethylpropanoate
CID 171246949
ethyl 2-bromo-2-(4-bromo-3-fluorophenyl)acetate
CID 166470674
1-(2-bromo-4-chlorophenyl)-1-methoxypropan-2-one
CID 83224628
(3R)-3-acetamido-3-(4-bromo-3-fluorophenyl)propanoic acid
CID 81436558
ethyl (3R)-3-amino-3-(4-bromo-3-fluorophenyl)-2-fluoropropanoate
CID 171240248

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-1-methoxypropan-2-one?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-1-methoxypropan-2-one (CID 83224753) is 1-(4-bromo-3-fluorophenyl)-1-methoxypropan-2-one.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-1-methoxypropan-2-one?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-1-methoxypropan-2-one is COC(C(C)=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-1-methoxypropan-2-one?
The InChIKey is KSCYUTINAQLNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c1-6(13)10(14-2)7-3-4-8(11)9(12)5-7/h3-5,10H,1-2H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-1-methoxypropan-2-one?
1-(4-bromo-3-fluorophenyl)-1-methoxypropan-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-(4-bromo-3-fluorophenyl)-1-methoxypropan-2-one is sourced from PubChem (CID 83224753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).