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

C15H11BrClFO — CID 103039318

IUPAC1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-one
SMILESO=C(Cc1cccc(Br)c1)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H11BrClFO/c16-12-3-1-2-10(6-12)7-13(19)8-11-4-5-15(18)14(17)9-11/h1-6,9H,7-8H2
InChIKeyWAKYGJFEJIWEOF-UHFFFAOYSA-N
MW341.61 g/mol
LogP4.60
Rot. Bonds4

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

1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-one (PubChem CID 103039318) has the molecular formula C15H11BrClFO and a molecular weight of 341.61 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-one
PubChem CID103039318
Molecular FormulaC15H11BrClFO
Molecular Weight341.61 g/mol
Exact Mass339.97
IUPAC Name1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-one
SMILESO=C(Cc1cccc(Br)c1)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H11BrClFO/c16-12-3-1-2-10(6-12)7-13(19)8-11-4-5-15(18)14(17)9-11/h1-6,9H,7-8H2
InChIKeyWAKYGJFEJIWEOF-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-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103805205
1-(5-bromo-2-fluorophenyl)-3-(3-bromophenyl)propan-2-one
CID 63409310
1-bromo-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 131189515
4-[2-[(3-bromophenyl)methyl]-3-chloropropyl]-2-chloro-1-fluorobenzene
CID 103042042
1-(4-chlorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 39362692
1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one
CID 55095977
1-(3-chloro-4-fluorophenyl)-4,4,4-trifluorobutan-2-one
CID 103039327
1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one
CID 55186208
1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 103039859
1-(3-bromo-4-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
CID 82803152
1-(3-bromo-5-fluorophenyl)-3-(4-chlorophenyl)propan-2-one
CID 79702459
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103038952

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-one?
The IUPAC name of 1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-one (CID 103039318) is 1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-one is O=C(Cc1cccc(Br)c1)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-one?
The InChIKey is WAKYGJFEJIWEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO/c16-12-3-1-2-10(6-12)7-13(19)8-11-4-5-15(18)14(17)9-11/h1-6,9H,7-8H2.
What are the key properties of 1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-one?
1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)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-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-one is sourced from PubChem (CID 103039318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).