1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone

C14H9BrF2O — CID 79737324

IUPAC1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H9BrF2O/c15-12-8-10(3-6-13(12)17)14(18)7-9-1-4-11(16)5-2-9/h1-6,8H,7H2
InChIKeyLNFIHIKMCKTOQL-UHFFFAOYSA-N
MW311.13 g/mol
LogP4.15
Rot. Bonds3

About 1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone

1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone (PubChem CID 79737324) has the molecular formula C14H9BrF2O and a molecular weight of 311.13 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
PubChem CID79737324
Molecular FormulaC14H9BrF2O
Molecular Weight311.13 g/mol
Exact Mass309.98
IUPAC Name1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H9BrF2O/c15-12-8-10(3-6-13(12)17)14(18)7-9-1-4-11(16)5-2-9/h1-6,8H,7H2
InChIKeyLNFIHIKMCKTOQL-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.13
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-bromo-1-(3-bromo-4-fluorophenyl)ethanone
CID 2782783
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CID 46881771
1-(3-bromo-4-fluorophenyl)-3-chloropropan-1-one
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1-(3-bromo-4-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 114854275
2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanone
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1-(3-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)ethanone
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3-bromo-4-fluorobenzoyl bromide
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2-(3-bromo-4-fluorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone (CID 79737324) is 1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone?
The InChIKey is LNFIHIKMCKTOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2O/c15-12-8-10(3-6-13(12)17)14(18)7-9-1-4-11(16)5-2-9/h1-6,8H,7H2.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone?
1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone has a molecular weight of 311.13 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 79737324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).