2-(2-bromophenyl)-1-(2,3,4-trifluorophenyl)ethanone

C14H8BrF3O — CID 62963763

IUPAC2-(2-bromophenyl)-1-(2,3,4-trifluorophenyl)ethanone
SMILESO=C(Cc1ccccc1Br)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H8BrF3O/c15-10-4-2-1-3-8(10)7-12(19)9-5-6-11(16)14(18)13(9)17/h1-6H,7H2
InChIKeyVAEUARJDEPNYCD-UHFFFAOYSA-N
MW329.12 g/mol
LogP4.29
Rot. Bonds3

About 2-(2-bromophenyl)-1-(2,3,4-trifluorophenyl)ethanone

2-(2-bromophenyl)-1-(2,3,4-trifluorophenyl)ethanone (PubChem CID 62963763) has the molecular formula C14H8BrF3O and a molecular weight of 329.12 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(2,3,4-trifluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(2,3,4-trifluorophenyl)ethanone
PubChem CID62963763
Molecular FormulaC14H8BrF3O
Molecular Weight329.12 g/mol
Exact Mass327.97
IUPAC Name2-(2-bromophenyl)-1-(2,3,4-trifluorophenyl)ethanone
SMILESO=C(Cc1ccccc1Br)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H8BrF3O/c15-10-4-2-1-3-8(10)7-12(19)9-5-6-11(16)14(18)13(9)17/h1-6H,7H2
InChIKeyVAEUARJDEPNYCD-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.12
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 55157525
3-(2-methylphenyl)-1-(2,3,4-trifluorophenyl)propan-1-one
CID 105099017
2-(2-bromophenyl)-1-(2,4-dibromophenyl)ethanone
CID 114019079
2-(1-benzothiophen-3-yl)-1-(2,3,4-trifluorophenyl)ethanone
CID 114965639
2-(4-chlorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62964096
2-(4-bromothiophen-2-yl)-1-(2,3,4-trifluorophenyl)ethanone
CID 114969447
2-(3,5-difluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62964616
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone
CID 106267622
2-(2-bromophenyl)acetyl bromide
CID 87290551
2-bromo-1-(3-bromo-2,4-difluorophenyl)ethanone
CID 122237020
2-(2-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 54919565
(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 114971667

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(2,3,4-trifluorophenyl)ethanone?
The IUPAC name of 2-(2-bromophenyl)-1-(2,3,4-trifluorophenyl)ethanone (CID 62963763) is 2-(2-bromophenyl)-1-(2,3,4-trifluorophenyl)ethanone.
What is the SMILES notation for 2-(2-bromophenyl)-1-(2,3,4-trifluorophenyl)ethanone?
The canonical SMILES for 2-(2-bromophenyl)-1-(2,3,4-trifluorophenyl)ethanone is O=C(Cc1ccccc1Br)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-(2-bromophenyl)-1-(2,3,4-trifluorophenyl)ethanone?
The InChIKey is VAEUARJDEPNYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF3O/c15-10-4-2-1-3-8(10)7-12(19)9-5-6-11(16)14(18)13(9)17/h1-6H,7H2.
What are the key properties of 2-(2-bromophenyl)-1-(2,3,4-trifluorophenyl)ethanone?
2-(2-bromophenyl)-1-(2,3,4-trifluorophenyl)ethanone has a molecular weight of 329.12 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(2,3,4-trifluorophenyl)ethanone is sourced from PubChem (CID 62963763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).