1-(2-bromophenyl)-3-(2,5-difluorophenyl)propan-2-one

C15H11BrF2O — CID 62828462

IUPAC1-(2-bromophenyl)-3-(2,5-difluorophenyl)propan-2-one
SMILESO=C(Cc1cc(F)ccc1F)Cc1ccccc1Br
InChIInChI=1S/C15H11BrF2O/c16-14-4-2-1-3-10(14)8-13(19)9-11-7-12(17)5-6-15(11)18/h1-7H,8-9H2
InChIKeyREKUUKKUMKQBNU-UHFFFAOYSA-N
MW325.15 g/mol
LogP4.08
Rot. Bonds4

About 1-(2-bromophenyl)-3-(2,5-difluorophenyl)propan-2-one

1-(2-bromophenyl)-3-(2,5-difluorophenyl)propan-2-one (PubChem CID 62828462) has the molecular formula C15H11BrF2O and a molecular weight of 325.15 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(2,5-difluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(2,5-difluorophenyl)propan-2-one
PubChem CID62828462
Molecular FormulaC15H11BrF2O
Molecular Weight325.15 g/mol
Exact Mass324.00
IUPAC Name1-(2-bromophenyl)-3-(2,5-difluorophenyl)propan-2-one
SMILESO=C(Cc1cc(F)ccc1F)Cc1ccccc1Br
InChIInChI=1S/C15H11BrF2O/c16-14-4-2-1-3-10(14)8-13(19)9-11-7-12(17)5-6-15(11)18/h1-7H,8-9H2
InChIKeyREKUUKKUMKQBNU-UHFFFAOYSA-N
XLogP4.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
CID 62621399
1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one
CID 64558874
1-(4-bromo-2-fluorophenyl)-3-(2-bromophenyl)propan-2-one
CID 63410152
1-chloro-3-(2,5-difluorophenyl)propan-2-one
CID 131011955
1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 62621730
2-(2-bromophenyl)-N-(2,4-difluorophenyl)acetamide
CID 113098832
1-(2-bromophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 62829143
1-(2-bromo-5-fluorophenyl)-3-chloropropan-2-one
CID 118843600
1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 63410030
2-[2-[(2-bromophenyl)methyl]-3-chloropropyl]-1,4-difluorobenzene
CID 66048611
1-(2-bromo-4-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
CID 82803394
1-(2-bromo-5-fluorophenyl)-3-thiophen-2-ylpropan-2-one
CID 62620100

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(2,5-difluorophenyl)propan-2-one?
The IUPAC name of 1-(2-bromophenyl)-3-(2,5-difluorophenyl)propan-2-one (CID 62828462) is 1-(2-bromophenyl)-3-(2,5-difluorophenyl)propan-2-one.
What is the SMILES notation for 1-(2-bromophenyl)-3-(2,5-difluorophenyl)propan-2-one?
The canonical SMILES for 1-(2-bromophenyl)-3-(2,5-difluorophenyl)propan-2-one is O=C(Cc1cc(F)ccc1F)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(2,5-difluorophenyl)propan-2-one?
The InChIKey is REKUUKKUMKQBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O/c16-14-4-2-1-3-10(14)8-13(19)9-11-7-12(17)5-6-15(11)18/h1-7H,8-9H2.
What are the key properties of 1-(2-bromophenyl)-3-(2,5-difluorophenyl)propan-2-one?
1-(2-bromophenyl)-3-(2,5-difluorophenyl)propan-2-one has a molecular weight of 325.15 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(2,5-difluorophenyl)propan-2-one is sourced from PubChem (CID 62828462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).