(2-bromo-5-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone

C15H10BrF3O2 — CID 105095598

IUPAC(2-bromo-5-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCOc1ccc(Br)c(C(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H10BrF3O2/c1-21-11-6-7-13(16)12(8-11)14(20)9-2-4-10(5-3-9)15(17,18)19/h2-8H,1H3
InChIKeyHHALUWVYPHILRT-UHFFFAOYSA-N
MW359.14 g/mol
LogP4.71
Rot. Bonds3

About (2-bromo-5-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone

(2-bromo-5-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 105095598) has the molecular formula C15H10BrF3O2 and a molecular weight of 359.14 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-bromo-5-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID105095598
Molecular FormulaC15H10BrF3O2
Molecular Weight359.14 g/mol
Exact Mass357.98
IUPAC Name(2-bromo-5-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCOc1ccc(Br)c(C(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H10BrF3O2/c1-21-11-6-7-13(16)12(8-11)14(20)9-2-4-10(5-3-9)15(17,18)19/h2-8H,1H3
InChIKeyHHALUWVYPHILRT-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2-bromo-5-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone (CID 105095598) is (2-bromo-5-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2-bromo-5-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2-bromo-5-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone is COc1ccc(Br)c(C(=O)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of (2-bromo-5-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is HHALUWVYPHILRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3O2/c1-21-11-6-7-13(16)12(8-11)14(20)9-2-4-10(5-3-9)15(17,18)19/h2-8H,1H3.
What are the key properties of (2-bromo-5-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone?
(2-bromo-5-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 359.14 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 105095598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).