1-(5-bromo-2-fluorophenyl)-3-(3-bromophenyl)propan-2-one

C15H11Br2FO — CID 63409310

IUPAC1-(5-bromo-2-fluorophenyl)-3-(3-bromophenyl)propan-2-one
SMILESO=C(Cc1cccc(Br)c1)Cc1cc(Br)ccc1F
InChIInChI=1S/C15H11Br2FO/c16-12-3-1-2-10(6-12)7-14(19)9-11-8-13(17)4-5-15(11)18/h1-6,8H,7,9H2
InChIKeyUONOQGTUABMHLH-UHFFFAOYSA-N
MW386.06 g/mol
LogP4.70
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-3-(3-bromophenyl)propan-2-one

1-(5-bromo-2-fluorophenyl)-3-(3-bromophenyl)propan-2-one (PubChem CID 63409310) has the molecular formula C15H11Br2FO and a molecular weight of 386.06 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-(3-bromophenyl)propan-2-one.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-(3-bromophenyl)propan-2-one
PubChem CID63409310
Molecular FormulaC15H11Br2FO
Molecular Weight386.06 g/mol
Exact Mass383.92
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-(3-bromophenyl)propan-2-one
SMILESO=C(Cc1cccc(Br)c1)Cc1cc(Br)ccc1F
InChIInChI=1S/C15H11Br2FO/c16-12-3-1-2-10(6-12)7-14(19)9-11-8-13(17)4-5-15(11)18/h1-6,8H,7,9H2
InChIKeyUONOQGTUABMHLH-UHFFFAOYSA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.06
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one
CID 55095977
1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 103039318
1-(3-bromophenyl)-3-naphthalen-1-ylpropan-2-one
CID 63409309
1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one
CID 55186208
2-(3-bromophenyl)acetate
CID 3608673
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CID 62621721
1-(5-bromo-2-fluorophenyl)-3-phenoxypropan-2-one
CID 62716864
4-(4-aminophenyl)-1-(5-bromo-2-fluorophenyl)butan-2-one
CID 116605593
1-(2-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 61219534
3-(3-bromophenyl)-2-oxopropane-1-sulfonic acid
CID 115053028
2-(3-bromophenyl)acetamide
CID 11736027
1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 103047948

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(3-bromophenyl)propan-2-one?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(3-bromophenyl)propan-2-one (CID 63409310) is 1-(5-bromo-2-fluorophenyl)-3-(3-bromophenyl)propan-2-one.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-(3-bromophenyl)propan-2-one?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-(3-bromophenyl)propan-2-one is O=C(Cc1cccc(Br)c1)Cc1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-(3-bromophenyl)propan-2-one?
The InChIKey is UONOQGTUABMHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2FO/c16-12-3-1-2-10(6-12)7-14(19)9-11-8-13(17)4-5-15(11)18/h1-6,8H,7,9H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-(3-bromophenyl)propan-2-one?
1-(5-bromo-2-fluorophenyl)-3-(3-bromophenyl)propan-2-one has a molecular weight of 386.06 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-3-(3-bromophenyl)propan-2-one is sourced from PubChem (CID 63409310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).