2-(4-bromo-2-fluorophenoxy)-1-(4-bromophenyl)propan-1-one

C15H11Br2FO2 — CID 60626928

IUPAC2-(4-bromo-2-fluorophenoxy)-1-(4-bromophenyl)propan-1-one
SMILESCC(Oc1ccc(Br)cc1F)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H11Br2FO2/c1-9(15(19)10-2-4-11(16)5-3-10)20-14-7-6-12(17)8-13(14)18/h2-9H,1H3
InChIKeyGHMKCHWKFJHIQN-UHFFFAOYSA-N
MW402.06 g/mol
LogP5.00
Rot. Bonds4

About 2-(4-bromo-2-fluorophenoxy)-1-(4-bromophenyl)propan-1-one

2-(4-bromo-2-fluorophenoxy)-1-(4-bromophenyl)propan-1-one (PubChem CID 60626928) has the molecular formula C15H11Br2FO2 and a molecular weight of 402.06 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-1-(4-bromophenyl)propan-1-one.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-1-(4-bromophenyl)propan-1-one
PubChem CID60626928
Molecular FormulaC15H11Br2FO2
Molecular Weight402.06 g/mol
Exact Mass399.91
IUPAC Name2-(4-bromo-2-fluorophenoxy)-1-(4-bromophenyl)propan-1-one
SMILESCC(Oc1ccc(Br)cc1F)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H11Br2FO2/c1-9(15(19)10-2-4-11(16)5-3-10)20-14-7-6-12(17)8-13(14)18/h2-9H,1H3
InChIKeyGHMKCHWKFJHIQN-UHFFFAOYSA-N
XLogP5.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.06
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-1-(4-ethylphenyl)propan-1-one
CID 60626925
(2S)-2-(4-bromo-2-fluorophenoxy)propanamide
CID 2522971
1-(4-bromophenyl)-2-(2,3-difluorophenoxy)propan-1-one
CID 63038697
2-(5-bromo-2-fluorophenoxy)-1-phenylpropan-1-one
CID 114674200
2-(2,4-difluorophenoxy)-1-phenylpropan-1-one
CID 43218886
tert-butyl 2-(4-bromo-2-fluorophenoxy)propanoate
CID 66336995
2-(5-bromo-2-fluorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 114674182
[(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl] 3-fluoro-4-methoxybenzoate
CID 7991804
(2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one
CID 94185693
(2S)-N-(3-acetylphenyl)-2-(4-bromo-2-fluorophenoxy)propanamide
CID 2522807
(2R)-1-(4-bromophenyl)-2-(4-methyl-2-nitrophenoxy)propan-1-one
CID 8563079
(2S)-2-(4-bromo-2-fluorophenoxy)-N-(3-methylphenyl)propanamide
CID 7695759

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-1-(4-bromophenyl)propan-1-one?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-1-(4-bromophenyl)propan-1-one (CID 60626928) is 2-(4-bromo-2-fluorophenoxy)-1-(4-bromophenyl)propan-1-one.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-1-(4-bromophenyl)propan-1-one?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-1-(4-bromophenyl)propan-1-one is CC(Oc1ccc(Br)cc1F)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-1-(4-bromophenyl)propan-1-one?
The InChIKey is GHMKCHWKFJHIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2FO2/c1-9(15(19)10-2-4-11(16)5-3-10)20-14-7-6-12(17)8-13(14)18/h2-9H,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-1-(4-bromophenyl)propan-1-one?
2-(4-bromo-2-fluorophenoxy)-1-(4-bromophenyl)propan-1-one has a molecular weight of 402.06 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-1-(4-bromophenyl)propan-1-one is sourced from PubChem (CID 60626928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).