(4-bromo-2-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone

C15H9BrF4O — CID 107288351

IUPAC(4-bromo-2-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(Br)ccc1C(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H9BrF4O/c1-8-6-10(16)3-4-11(8)14(21)9-2-5-13(17)12(7-9)15(18,19)20/h2-7H,1H3
InChIKeyGIMOQKYWIUUUKP-UHFFFAOYSA-N
MW361.13 g/mol
LogP5.15
Rot. Bonds2

About (4-bromo-2-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone

(4-bromo-2-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone (PubChem CID 107288351) has the molecular formula C15H9BrF4O and a molecular weight of 361.13 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
PubChem CID107288351
Molecular FormulaC15H9BrF4O
Molecular Weight361.13 g/mol
Exact Mass359.98
IUPAC Name(4-bromo-2-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(Br)ccc1C(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H9BrF4O/c1-8-6-10(16)3-4-11(8)14(21)9-2-5-13(17)12(7-9)15(18,19)20/h2-7H,1H3
InChIKeyGIMOQKYWIUUUKP-UHFFFAOYSA-N
XLogP5.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.13
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107288345
(4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 103750489
(3-bromo-4-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107291350
(4-bromo-2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288344
(5-bromo-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 79997568
(4-bromo-2-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299227
(4-bromo-2-methylphenyl)-(3,5-difluorophenyl)methanone
CID 112694073
(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291262
(2-chloro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107291351
[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylsulfanylphenyl)methanone
CID 107288415
[4-bromo-2-(trifluoromethyl)phenyl]-(3,4-dichlorophenyl)methanone
CID 63409381
(2,3-dichlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 114970427

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-bromo-2-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone (CID 107288351) is (4-bromo-2-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-bromo-2-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-bromo-2-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone is Cc1cc(Br)ccc1C(=O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of (4-bromo-2-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
The InChIKey is GIMOQKYWIUUUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF4O/c1-8-6-10(16)3-4-11(8)14(21)9-2-5-13(17)12(7-9)15(18,19)20/h2-7H,1H3.
What are the key properties of (4-bromo-2-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
(4-bromo-2-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone has a molecular weight of 361.13 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 107288351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).