(2-bromo-4-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone

C15H10BrF3O2 — CID 114970319

IUPAC(2-bromo-4-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone
SMILESCc1ccc(C(=O)c2ccccc2OC(F)(F)F)c(Br)c1
InChIInChI=1S/C15H10BrF3O2/c1-9-6-7-10(12(16)8-9)14(20)11-4-2-3-5-13(11)21-15(17,18)19/h2-8H,1H3
InChIKeyCXTXVBBDGDIGEW-UHFFFAOYSA-N
MW359.14 g/mol
LogP4.89
Rot. Bonds3

About (2-bromo-4-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone

(2-bromo-4-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone (PubChem CID 114970319) has the molecular formula C15H10BrF3O2 and a molecular weight of 359.14 g/mol. Its IUPAC name is (2-bromo-4-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(2-bromo-4-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone
PubChem CID114970319
Molecular FormulaC15H10BrF3O2
Molecular Weight359.14 g/mol
Exact Mass357.98
IUPAC Name(2-bromo-4-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone
SMILESCc1ccc(C(=O)c2ccccc2OC(F)(F)F)c(Br)c1
InChIInChI=1S/C15H10BrF3O2/c1-9-6-7-10(12(16)8-9)14(20)11-4-2-3-5-13(11)21-15(17,18)19/h2-8H,1H3
InChIKeyCXTXVBBDGDIGEW-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.14
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (2-bromo-4-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone (CID 114970319) is (2-bromo-4-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (2-bromo-4-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (2-bromo-4-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone is Cc1ccc(C(=O)c2ccccc2OC(F)(F)F)c(Br)c1.
What is the InChIKey of (2-bromo-4-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone?
The InChIKey is CXTXVBBDGDIGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3O2/c1-9-6-7-10(12(16)8-9)14(20)11-4-2-3-5-13(11)21-15(17,18)19/h2-8H,1H3.
What are the key properties of (2-bromo-4-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone?
(2-bromo-4-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone has a molecular weight of 359.14 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 114970319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).