1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one

C15H11BrClFO — CID 55095977

IUPAC1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one
SMILESO=C(Cc1ccc(Cl)cc1)Cc1cc(Br)ccc1F
InChIInChI=1S/C15H11BrClFO/c16-12-3-6-15(18)11(8-12)9-14(19)7-10-1-4-13(17)5-2-10/h1-6,8H,7,9H2
InChIKeyUNYFDDWOHWECON-UHFFFAOYSA-N
MW341.61 g/mol
LogP4.60
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one

1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one (PubChem CID 55095977) has the molecular formula C15H11BrClFO and a molecular weight of 341.61 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one
PubChem CID55095977
Molecular FormulaC15H11BrClFO
Molecular Weight341.61 g/mol
Exact Mass339.97
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one
SMILESO=C(Cc1ccc(Cl)cc1)Cc1cc(Br)ccc1F
InChIInChI=1S/C15H11BrClFO/c16-12-3-6-15(18)11(8-12)9-14(19)7-10-1-4-13(17)5-2-10/h1-6,8H,7,9H2
InChIKeyUNYFDDWOHWECON-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.61
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-fluorophenyl)-3-(3-bromophenyl)propan-2-one
CID 63409310
1-(3-bromo-5-fluorophenyl)-3-(4-chlorophenyl)propan-2-one
CID 79702459
1-(5-chloro-2-fluorophenyl)-3-(4-hydroxyphenyl)propan-2-one
CID 161028075
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
2-(5-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanone
CID 106690925
4-(4-aminophenyl)-1-(5-bromo-2-fluorophenyl)butan-2-one
CID 116605593
1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 103039318
1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-ol
CID 55096280
1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one
CID 141275371
1-(4-chlorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 39362692
1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one
CID 82801940
1-(5-bromo-2-fluorophenyl)-3-tert-butylsulfanylpropan-2-one
CID 65133139

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one (CID 55095977) is 1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one is O=C(Cc1ccc(Cl)cc1)Cc1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one?
The InChIKey is UNYFDDWOHWECON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO/c16-12-3-6-15(18)11(8-12)9-14(19)7-10-1-4-13(17)5-2-10/h1-6,8H,7,9H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one?
1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one has a molecular weight of 341.61 g/mol, XLogP of 4.60, 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-(4-chlorophenyl)propan-2-one is sourced from PubChem (CID 55095977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).