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

C15H9BrF4O — CID 107291350

IUPAC(3-bromo-4-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
SMILESCc1ccc(C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1Br
InChIInChI=1S/C15H9BrF4O/c1-8-2-3-10(7-12(8)16)14(21)9-4-5-13(17)11(6-9)15(18,19)20/h2-7H,1H3
InChIKeyWOTMEHVBJXEVKY-UHFFFAOYSA-N
MW361.13 g/mol
LogP5.15
Rot. Bonds2

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

(3-bromo-4-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone (PubChem CID 107291350) has the molecular formula C15H9BrF4O and a molecular weight of 361.13 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
PubChem CID107291350
Molecular FormulaC15H9BrF4O
Molecular Weight361.13 g/mol
Exact Mass359.98
IUPAC Name(3-bromo-4-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
SMILESCc1ccc(C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1Br
InChIInChI=1S/C15H9BrF4O/c1-8-2-3-10(7-12(8)16)14(21)9-4-5-13(17)11(6-9)15(18,19)20/h2-7H,1H3
InChIKeyWOTMEHVBJXEVKY-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-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107288351
(5-bromo-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 79997568
(3-bromo-4-methylphenyl)-(4-fluorophenyl)methanone
CID 79020160
[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylsulfanylphenyl)methanone
CID 107288415
[4-bromo-3-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanone
CID 107561557
(4-bromo-2-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107288345
(2-chloro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107291351
(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone
CID 81472431
4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 118641910
(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
CID 103693752
4-fluoro-3-(trifluoromethyl)benzoate
CID 6921666
(3-bromo-4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288265

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3-bromo-4-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone (CID 107291350) is (3-bromo-4-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3-bromo-4-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3-bromo-4-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone is Cc1ccc(C(=O)c2ccc(F)c(C(F)(F)F)c2)cc1Br.
What is the InChIKey of (3-bromo-4-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
The InChIKey is WOTMEHVBJXEVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF4O/c1-8-2-3-10(7-12(8)16)14(21)9-4-5-13(17)11(6-9)15(18,19)20/h2-7H,1H3.
What are the key properties of (3-bromo-4-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
(3-bromo-4-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 (3-bromo-4-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 107291350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).