2-(2-bromo-4-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone

C14H7BrF4O — CID 62620275

IUPAC2-(2-bromo-4-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1Br)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H7BrF4O/c15-10-6-9(16)2-1-7(10)5-13(20)8-3-11(17)14(19)12(18)4-8/h1-4,6H,5H2
InChIKeyAOUVFNHEGIAGSV-UHFFFAOYSA-N
MW347.11 g/mol
LogP4.43
Rot. Bonds3

About 2-(2-bromo-4-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone

2-(2-bromo-4-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone (PubChem CID 62620275) has the molecular formula C14H7BrF4O and a molecular weight of 347.11 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone
PubChem CID62620275
Molecular FormulaC14H7BrF4O
Molecular Weight347.11 g/mol
Exact Mass345.96
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1Br)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H7BrF4O/c15-10-6-9(16)2-1-7(10)5-13(20)8-3-11(17)14(19)12(18)4-8/h1-4,6H,5H2
InChIKeyAOUVFNHEGIAGSV-UHFFFAOYSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.11
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(2-bromo-4-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanone
CID 63411397
1-[4-(2-aminoethyl)phenyl]-2-(2-bromo-4-fluorophenyl)ethanone
CID 116577619
2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanone
CID 114968001
2-(3-bromo-2,6-difluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone
CID 106266017
2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 116611894
2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 114968030
1-(2-bromo-4-fluorophenyl)-3-methylbut-3-en-2-one
CID 103446388
1-(3-amino-5-bromophenyl)-2-(2,4-difluorophenyl)ethanone
CID 116597198
1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114329547
2-(2,4-difluorophenyl)-1-(3-fluoro-5-methylphenyl)ethanone
CID 79705234
1-(3-bromo-4-fluorophenyl)-2-(2-chloro-5-fluorophenyl)ethanone
CID 102617798
1-(2-bromo-4-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
CID 82803394

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone (CID 62620275) is 2-(2-bromo-4-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone is O=C(Cc1ccc(F)cc1Br)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone?
The InChIKey is AOUVFNHEGIAGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF4O/c15-10-6-9(16)2-1-7(10)5-13(20)8-3-11(17)14(19)12(18)4-8/h1-4,6H,5H2.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone?
2-(2-bromo-4-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone has a molecular weight of 347.11 g/mol, XLogP of 4.43, 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-(3,4,5-trifluorophenyl)ethanone is sourced from PubChem (CID 62620275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).