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

C15H11BrF2O — CID 62621730

IUPAC1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
SMILESO=C(Cc1cccc(F)c1)Cc1cc(F)ccc1Br
InChIInChI=1S/C15H11BrF2O/c16-15-5-4-13(18)8-11(15)9-14(19)7-10-2-1-3-12(17)6-10/h1-6,8H,7,9H2
InChIKeyCGDDADQGCRWWHU-UHFFFAOYSA-N
MW325.15 g/mol
LogP4.08
Rot. Bonds4

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

1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one (PubChem CID 62621730) has the molecular formula C15H11BrF2O and a molecular weight of 325.15 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
PubChem CID62621730
Molecular FormulaC15H11BrF2O
Molecular Weight325.15 g/mol
Exact Mass324.00
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
SMILESO=C(Cc1cccc(F)c1)Cc1cc(F)ccc1Br
InChIInChI=1S/C15H11BrF2O/c16-15-5-4-13(18)8-11(15)9-14(19)7-10-2-1-3-12(17)6-10/h1-6,8H,7,9H2
InChIKeyCGDDADQGCRWWHU-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-(3-methylphenyl)propan-2-one
CID 62619910
1-(2-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 61219534
1-(2-bromo-5-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
CID 62621399
1-(2-bromo-5-fluorophenyl)-3-chloropropan-2-one
CID 118843600
1-(3-fluorophenyl)-3-hydroxypropan-2-one
CID 70264927
1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 63410030
1-[2-(aminomethyl)phenyl]-3-(3-fluorophenyl)propan-2-one
CID 116595869
1-(2-bromo-5-fluorophenyl)-3-thiophen-2-ylpropan-2-one
CID 62620100
1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-one
CID 62621544
1-(4-chlorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 39362692
1-(2-bromophenyl)-3-(2,5-difluorophenyl)propan-2-one
CID 62828462
1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62621173

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one (CID 62621730) is 1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one is O=C(Cc1cccc(F)c1)Cc1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one?
The InChIKey is CGDDADQGCRWWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O/c16-15-5-4-13(18)8-11(15)9-14(19)7-10-2-1-3-12(17)6-10/h1-6,8H,7,9H2.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one?
1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)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-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one is sourced from PubChem (CID 62621730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).