(4-bromophenyl)-(2,3,4-trifluorophenyl)methanone

C13H6BrF3O — CID 62963924

IUPAC(4-bromophenyl)-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1ccc(Br)cc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H6BrF3O/c14-8-3-1-7(2-4-8)13(18)9-5-6-10(15)12(17)11(9)16/h1-6H
InChIKeyJKTLEGUPUQLPPT-UHFFFAOYSA-N
MW315.09 g/mol
LogP4.10
Rot. Bonds2

About (4-bromophenyl)-(2,3,4-trifluorophenyl)methanone

(4-bromophenyl)-(2,3,4-trifluorophenyl)methanone (PubChem CID 62963924) has the molecular formula C13H6BrF3O and a molecular weight of 315.09 g/mol. Its IUPAC name is (4-bromophenyl)-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(2,3,4-trifluorophenyl)methanone
PubChem CID62963924
Molecular FormulaC13H6BrF3O
Molecular Weight315.09 g/mol
Exact Mass313.96
IUPAC Name(4-bromophenyl)-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1ccc(Br)cc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H6BrF3O/c14-8-3-1-7(2-4-8)13(18)9-5-6-10(15)12(17)11(9)16/h1-6H
InChIKeyJKTLEGUPUQLPPT-UHFFFAOYSA-N
XLogP4.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.09
LogP ≤ 54.10
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

(4-chlorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 62964094
(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 66423624
(4-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 112694186
(2-amino-5-bromophenyl)-(2,3,4-trifluorophenyl)methanone
CID 82703694
(4-cyclobutylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 115807772
(4-propan-2-yloxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 79757463
(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 141431746
(5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 79743346
(3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 62963923
methyl 5-(4-bromobenzoyl)-2-fluorobenzoate
CID 66724811
(4-bromothiophen-3-yl)-(2,3,4-trifluorophenyl)methanone
CID 115784139
(2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 114971661

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of (4-bromophenyl)-(2,3,4-trifluorophenyl)methanone (CID 62963924) is (4-bromophenyl)-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for (4-bromophenyl)-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for (4-bromophenyl)-(2,3,4-trifluorophenyl)methanone is O=C(c1ccc(Br)cc1)c1ccc(F)c(F)c1F.
What is the InChIKey of (4-bromophenyl)-(2,3,4-trifluorophenyl)methanone?
The InChIKey is JKTLEGUPUQLPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrF3O/c14-8-3-1-7(2-4-8)13(18)9-5-6-10(15)12(17)11(9)16/h1-6H.
What are the key properties of (4-bromophenyl)-(2,3,4-trifluorophenyl)methanone?
(4-bromophenyl)-(2,3,4-trifluorophenyl)methanone has a molecular weight of 315.09 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 62963924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).