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

C15H10BrF3O2 — CID 114970316

IUPAC(5-bromo-2-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone
SMILESCc1ccc(Br)cc1C(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H10BrF3O2/c1-9-6-7-10(16)8-12(9)14(20)11-4-2-3-5-13(11)21-15(17,18)19/h2-8H,1H3
InChIKeyALVWVIGVTNRELS-UHFFFAOYSA-N
MW359.14 g/mol
LogP4.89
Rot. Bonds3

About (5-bromo-2-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone

(5-bromo-2-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone (PubChem CID 114970316) has the molecular formula C15H10BrF3O2 and a molecular weight of 359.14 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone
PubChem CID114970316
Molecular FormulaC15H10BrF3O2
Molecular Weight359.14 g/mol
Exact Mass357.98
IUPAC Name(5-bromo-2-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone
SMILESCc1ccc(Br)cc1C(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H10BrF3O2/c1-9-6-7-10(16)8-12(9)14(20)11-4-2-3-5-13(11)21-15(17,18)19/h2-8H,1H3
InChIKeyALVWVIGVTNRELS-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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Related Compounds

(2-bromo-4-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 114970319
(2-amino-5-bromo-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 59700140
(5-bromo-2-methylphenyl)-(2-chlorophenyl)methanone
CID 114963344
(3-methylfuran-2-yl)-[2-(trifluoromethoxy)phenyl]methanone
CID 104799403
(2-methyl-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 105094746
5-bromo-2-(trifluoromethoxy)benzamide
CID 155804273
1-[5-bromo-2-(trifluoromethoxy)phenyl]propan-1-one
CID 70699568
4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane
CID 143646711
(2,5-dibromophenyl)-(2-methylphenyl)methanone
CID 114962947
(4-bromo-2-methylphenyl)-(2-methylphenyl)methanone
CID 11150419
(6-methyl-2-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 63553798
2-(trifluoromethoxy)benzoate
CID 6933714

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (5-bromo-2-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone (CID 114970316) is (5-bromo-2-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (5-bromo-2-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (5-bromo-2-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone is Cc1ccc(Br)cc1C(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of (5-bromo-2-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone?
The InChIKey is ALVWVIGVTNRELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3O2/c1-9-6-7-10(16)8-12(9)14(20)11-4-2-3-5-13(11)21-15(17,18)19/h2-8H,1H3.
What are the key properties of (5-bromo-2-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone?
(5-bromo-2-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 (5-bromo-2-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 114970316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).