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

C14H9BrF2O — CID 21406811

IUPAC1-[4-(2-bromo-4-fluorophenyl)-3-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(F)cc2Br)c(F)c1
InChIInChI=1S/C14H9BrF2O/c1-8(18)9-2-4-12(14(17)6-9)11-5-3-10(16)7-13(11)15/h2-7H,1H3
InChIKeyYICYYYCSANXGDU-UHFFFAOYSA-N
MW311.13 g/mol
LogP4.60
Rot. Bonds2

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

1-[4-(2-bromo-4-fluorophenyl)-3-fluorophenyl]ethanone (PubChem CID 21406811) has the molecular formula C14H9BrF2O and a molecular weight of 311.13 g/mol. Its IUPAC name is 1-[4-(2-bromo-4-fluorophenyl)-3-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-bromo-4-fluorophenyl)-3-fluorophenyl]ethanone
PubChem CID21406811
Molecular FormulaC14H9BrF2O
Molecular Weight311.13 g/mol
Exact Mass309.98
IUPAC Name1-[4-(2-bromo-4-fluorophenyl)-3-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(F)cc2Br)c(F)c1
InChIInChI=1S/C14H9BrF2O/c1-8(18)9-2-4-12(14(17)6-9)11-5-3-10(16)7-13(11)15/h2-7H,1H3
InChIKeyYICYYYCSANXGDU-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.13
LogP ≤ 54.60
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-[4-(4-bromo-2-fluorophenyl)-3-chlorophenyl]ethanone
CID 21406743
1-[4-(4-acetyl-2-bromophenyl)phenyl]ethanone
CID 20641223
1-[2-(2,4-difluorophenyl)-4-fluorophenyl]ethanone
CID 22482372
3-bromo-4-(4-fluoro-2-methylphenyl)benzamide
CID 165449462
1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethanone
CID 43154168
1-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]ethanone
CID 22313830
1-[3-amino-4-(2,4-dibromophenyl)phenyl]ethanone
CID 21406748
2-(4-acetyl-2-fluorophenoxy)-5-fluorobenzoic acid
CID 115298221
1-(2-bromo-5-fluorophenyl)ethanone
CID 22736080
1-(4-fluorophenyl)ethanone;methanol
CID 160697688
1-[5-fluoro-2-(2-fluoro-4-methylphenyl)phenyl]ethanone
CID 175647053

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bromo-4-fluorophenyl)-3-fluorophenyl]ethanone?
The IUPAC name of 1-[4-(2-bromo-4-fluorophenyl)-3-fluorophenyl]ethanone (CID 21406811) is 1-[4-(2-bromo-4-fluorophenyl)-3-fluorophenyl]ethanone.
What is the SMILES notation for 1-[4-(2-bromo-4-fluorophenyl)-3-fluorophenyl]ethanone?
The canonical SMILES for 1-[4-(2-bromo-4-fluorophenyl)-3-fluorophenyl]ethanone is CC(=O)c1ccc(-c2ccc(F)cc2Br)c(F)c1.
What is the InChIKey of 1-[4-(2-bromo-4-fluorophenyl)-3-fluorophenyl]ethanone?
The InChIKey is YICYYYCSANXGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2O/c1-8(18)9-2-4-12(14(17)6-9)11-5-3-10(16)7-13(11)15/h2-7H,1H3.
What are the key properties of 1-[4-(2-bromo-4-fluorophenyl)-3-fluorophenyl]ethanone?
1-[4-(2-bromo-4-fluorophenyl)-3-fluorophenyl]ethanone has a molecular weight of 311.13 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bromo-4-fluorophenyl)-3-fluorophenyl]ethanone is sourced from PubChem (CID 21406811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).