(5-bromo-2-chlorophenyl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone

C15H9BrClF3O2 — CID 86710508

IUPAC(5-bromo-2-chlorophenyl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone
SMILESO=C(c1ccc(OCC(F)(F)F)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H9BrClF3O2/c16-10-3-6-13(17)12(7-10)14(21)9-1-4-11(5-2-9)22-8-15(18,19)20/h1-7H,8H2
InChIKeyJQMGGYWWROPMCV-UHFFFAOYSA-N
MW393.59 g/mol
LogP5.27
Rot. Bonds4

About (5-bromo-2-chlorophenyl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone

(5-bromo-2-chlorophenyl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone (PubChem CID 86710508) has the molecular formula C15H9BrClF3O2 and a molecular weight of 393.59 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone
PubChem CID86710508
Molecular FormulaC15H9BrClF3O2
Molecular Weight393.59 g/mol
Exact Mass391.94
IUPAC Name(5-bromo-2-chlorophenyl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone
SMILESO=C(c1ccc(OCC(F)(F)F)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H9BrClF3O2/c16-10-3-6-13(17)12(7-10)14(21)9-1-4-11(5-2-9)22-8-15(18,19)20/h1-7H,8H2
InChIKeyJQMGGYWWROPMCV-UHFFFAOYSA-N
XLogP5.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.59
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone (CID 86710508) is (5-bromo-2-chlorophenyl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone is O=C(c1ccc(OCC(F)(F)F)cc1)c1cc(Br)ccc1Cl.
What is the InChIKey of (5-bromo-2-chlorophenyl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone?
The InChIKey is JQMGGYWWROPMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClF3O2/c16-10-3-6-13(17)12(7-10)14(21)9-1-4-11(5-2-9)22-8-15(18,19)20/h1-7H,8H2.
What are the key properties of (5-bromo-2-chlorophenyl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone?
(5-bromo-2-chlorophenyl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone has a molecular weight of 393.59 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-[4-(2,2,2-trifluoroethoxy)phenyl]methanone is sourced from PubChem (CID 86710508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).