1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-one

C15H10BrClF2O — CID 63410407

IUPAC1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-one
SMILESO=C(Cc1ccc(Br)cc1F)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H10BrClF2O/c16-11-3-1-10(15(19)7-11)6-13(20)5-9-2-4-12(18)8-14(9)17/h1-4,7-8H,5-6H2
InChIKeyRXCWANHHFMIUOB-UHFFFAOYSA-N
MW359.60 g/mol
LogP4.74
Rot. Bonds4

About 1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-one

1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-one (PubChem CID 63410407) has the molecular formula C15H10BrClF2O and a molecular weight of 359.60 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-one
PubChem CID63410407
Molecular FormulaC15H10BrClF2O
Molecular Weight359.60 g/mol
Exact Mass357.96
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-one
SMILESO=C(Cc1ccc(Br)cc1F)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H10BrClF2O/c16-11-3-1-10(15(19)7-11)6-13(20)5-9-2-4-12(18)8-14(9)17/h1-4,7-8H,5-6H2
InChIKeyRXCWANHHFMIUOB-UHFFFAOYSA-N
XLogP4.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.60
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(2-chloro-4-fluorophenyl)ethanone
CID 63410449
1-(2-chloro-4-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
CID 55096413
2-(2-chloro-4-fluorophenyl)-1-(2,5-dibromophenyl)ethanone
CID 114967277
1-(2-chloro-4-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-one
CID 63034230
1-(4-bromo-2-fluorophenyl)-3-(2-bromophenyl)propan-2-one
CID 63410152
1-(4-bromo-2-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one
CID 66070129
1-(2-chloro-4-fluorophenyl)-5-hydroxypentan-2-one
CID 106677431
2-(4-bromo-2-fluorophenyl)acetyl iodide
CID 90435604
1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one
CID 64558874
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone
CID 107996296
1-(4-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one
CID 114968486
2-[(4-bromo-2-fluorophenyl)methyl]-5-[(2-chloro-4-fluorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide
CID 46341827

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-one?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-one (CID 63410407) is 1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-one is O=C(Cc1ccc(Br)cc1F)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-one?
The InChIKey is RXCWANHHFMIUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClF2O/c16-11-3-1-10(15(19)7-11)6-13(20)5-9-2-4-12(18)8-14(9)17/h1-4,7-8H,5-6H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-one?
1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-one has a molecular weight of 359.60 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-one is sourced from PubChem (CID 63410407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).