1-[4-(4-bromo-2-fluorophenyl)-3-chlorophenyl]ethanone

C14H9BrClFO — CID 21406743

IUPAC1-[4-(4-bromo-2-fluorophenyl)-3-chlorophenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(Br)cc2F)c(Cl)c1
InChIInChI=1S/C14H9BrClFO/c1-8(18)9-2-4-11(13(16)6-9)12-5-3-10(15)7-14(12)17/h2-7H,1H3
InChIKeyHKOJULLDHZRGLI-UHFFFAOYSA-N
MW327.58 g/mol
LogP5.11
Rot. Bonds2

About 1-[4-(4-bromo-2-fluorophenyl)-3-chlorophenyl]ethanone

1-[4-(4-bromo-2-fluorophenyl)-3-chlorophenyl]ethanone (PubChem CID 21406743) has the molecular formula C14H9BrClFO and a molecular weight of 327.58 g/mol. Its IUPAC name is 1-[4-(4-bromo-2-fluorophenyl)-3-chlorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-bromo-2-fluorophenyl)-3-chlorophenyl]ethanone
PubChem CID21406743
Molecular FormulaC14H9BrClFO
Molecular Weight327.58 g/mol
Exact Mass325.95
IUPAC Name1-[4-(4-bromo-2-fluorophenyl)-3-chlorophenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(Br)cc2F)c(Cl)c1
InChIInChI=1S/C14H9BrClFO/c1-8(18)9-2-4-11(13(16)6-9)12-5-3-10(15)7-14(12)17/h2-7H,1H3
InChIKeyHKOJULLDHZRGLI-UHFFFAOYSA-N
XLogP5.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.58
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(4-bromo-2-chlorophenyl)-3-fluorophenyl]ethanone
CID 21406759
1-[3-amino-4-(4-bromo-2-chlorophenyl)phenyl]ethanone
CID 21406784
4-(5-bromo-2-fluorophenyl)-3-chlorobenzoic acid
CID 81308229
1-[4-(2-bromo-4-fluorophenyl)-3-fluorophenyl]ethanone
CID 21406811
4-(2-chloro-4-methylphenyl)-3-fluorobenzoic acid
CID 53226619
4-(2,4-dichlorophenyl)-3-fluorobenzoic acid
CID 53211306
4-(4-bromo-2-fluorophenyl)benzoic acid
CID 54325449
1-(7-bromonaphthalen-2-yl)ethanone
CID 68758171
1-[4-(5-bromo-2-methylphenoxy)-3-chlorophenyl]ethanone
CID 107284741
1-[4-(4-bromo-2-fluorophenyl)phenyl]propan-1-one
CID 822002
2-(4-bromo-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanone
CID 114968547
1-[4-(2-chloro-4-fluorophenyl)-3-nitrophenyl]ethanone
CID 21406810

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromo-2-fluorophenyl)-3-chlorophenyl]ethanone?
The IUPAC name of 1-[4-(4-bromo-2-fluorophenyl)-3-chlorophenyl]ethanone (CID 21406743) is 1-[4-(4-bromo-2-fluorophenyl)-3-chlorophenyl]ethanone.
What is the SMILES notation for 1-[4-(4-bromo-2-fluorophenyl)-3-chlorophenyl]ethanone?
The canonical SMILES for 1-[4-(4-bromo-2-fluorophenyl)-3-chlorophenyl]ethanone is CC(=O)c1ccc(-c2ccc(Br)cc2F)c(Cl)c1.
What is the InChIKey of 1-[4-(4-bromo-2-fluorophenyl)-3-chlorophenyl]ethanone?
The InChIKey is HKOJULLDHZRGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFO/c1-8(18)9-2-4-11(13(16)6-9)12-5-3-10(15)7-14(12)17/h2-7H,1H3.
What are the key properties of 1-[4-(4-bromo-2-fluorophenyl)-3-chlorophenyl]ethanone?
1-[4-(4-bromo-2-fluorophenyl)-3-chlorophenyl]ethanone has a molecular weight of 327.58 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromo-2-fluorophenyl)-3-chlorophenyl]ethanone is sourced from PubChem (CID 21406743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).