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

C14H9Br2FO — CID 63411397

IUPAC2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1Br)c1cccc(Br)c1
InChIInChI=1S/C14H9Br2FO/c15-11-3-1-2-10(6-11)14(18)7-9-4-5-12(17)8-13(9)16/h1-6,8H,7H2
InChIKeySTQDQEGEPGFDRU-UHFFFAOYSA-N
MW372.03 g/mol
LogP4.78
Rot. Bonds3

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

2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanone (PubChem CID 63411397) has the molecular formula C14H9Br2FO and a molecular weight of 372.03 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanone
PubChem CID63411397
Molecular FormulaC14H9Br2FO
Molecular Weight372.03 g/mol
Exact Mass369.90
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1Br)c1cccc(Br)c1
InChIInChI=1S/C14H9Br2FO/c15-11-3-1-2-10(6-11)14(18)7-9-4-5-12(17)8-13(9)16/h1-6,8H,7H2
InChIKeySTQDQEGEPGFDRU-UHFFFAOYSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.03
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanone
CID 114968001
1-(3-bromophenyl)-2-(3-fluorophenyl)ethanone
CID 24723944
2-(2-bromo-4-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone
CID 62620275
1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103047928
1-[4-(2-aminoethyl)phenyl]-2-(2-bromo-4-fluorophenyl)ethanone
CID 116577619
1-(3-bromophenyl)-2-(4-bromophenyl)ethanone
CID 55026809
(3-bromophenyl)-(3-fluorophenyl)methanone
CID 19780750
1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865689
2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 114968030
2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 116611894
2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
CID 105089542
1-(3-bromophenyl)propan-1-one;ethane
CID 145351715

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanone?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanone (CID 63411397) is 2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanone.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanone?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanone is O=C(Cc1ccc(F)cc1Br)c1cccc(Br)c1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanone?
The InChIKey is STQDQEGEPGFDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2FO/c15-11-3-1-2-10(6-11)14(18)7-9-4-5-12(17)8-13(9)16/h1-6,8H,7H2.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanone?
2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanone has a molecular weight of 372.03 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanone is sourced from PubChem (CID 63411397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).