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

C15H9BrClF3O — CID 107561557

IUPAC[4-bromo-3-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C15H9BrClF3O/c1-8-2-3-10(7-13(8)17)14(21)9-4-5-12(16)11(6-9)15(18,19)20/h2-7H,1H3
InChIKeyMVDNLCDCNLTYGC-UHFFFAOYSA-N
MW377.59 g/mol
LogP5.66
Rot. Bonds2

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

[4-bromo-3-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanone (PubChem CID 107561557) has the molecular formula C15H9BrClF3O and a molecular weight of 377.59 g/mol. Its IUPAC name is [4-bromo-3-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-bromo-3-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanone
PubChem CID107561557
Molecular FormulaC15H9BrClF3O
Molecular Weight377.59 g/mol
Exact Mass375.95
IUPAC Name[4-bromo-3-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C15H9BrClF3O/c1-8-2-3-10(7-13(8)17)14(21)9-4-5-12(16)11(6-9)15(18,19)20/h2-7H,1H3
InChIKeyMVDNLCDCNLTYGC-UHFFFAOYSA-N
XLogP5.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.59
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
CID 103693752
(3-bromo-4-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107291350
(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736289
(2-bromophenyl)-(3-chloro-4-methylphenyl)methanone
CID 24723106
(3-chloro-4-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 113241964
(5-bromo-4-chlorothiophen-2-yl)-(3-chloro-4-methylphenyl)methanone
CID 80531678
[4-bromo-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanone
CID 114962483
(3-bromo-4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288265
4-bromo-3-chloro-5-(trifluoromethyl)benzoic acid
CID 171001263
(3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone
CID 103693754
(2-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 63492340
2-chloro-1-[4-methyl-3-(trifluoromethyl)phenyl]ethanone
CID 133059973

Frequently Asked Questions

What is the IUPAC name of [4-bromo-3-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanone?
The IUPAC name of [4-bromo-3-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanone (CID 107561557) is [4-bromo-3-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanone.
What is the SMILES notation for [4-bromo-3-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanone?
The canonical SMILES for [4-bromo-3-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1Cl.
What is the InChIKey of [4-bromo-3-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanone?
The InChIKey is MVDNLCDCNLTYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClF3O/c1-8-2-3-10(7-13(8)17)14(21)9-4-5-12(16)11(6-9)15(18,19)20/h2-7H,1H3.
What are the key properties of [4-bromo-3-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanone?
[4-bromo-3-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanone has a molecular weight of 377.59 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-3-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanone is sourced from PubChem (CID 107561557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).