(2S)-2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxy-1-phenylethanone

C15H10BrF3O2 — CID 166441758

IUPAC(2S)-2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxy-1-phenylethanone
SMILESO=C(c1ccccc1)[C@@H](O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C15H10BrF3O2/c16-10-6-7-11(12(8-10)15(17,18)19)14(21)13(20)9-4-2-1-3-5-9/h1-8,14,21H/t14-/m0/s1
InChIKeyPWHNAYXHDFWRHX-AWEZNQCLSA-N
MW359.14 g/mol
LogP4.38
Rot. Bonds3

About (2S)-2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxy-1-phenylethanone

(2S)-2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxy-1-phenylethanone (PubChem CID 166441758) has the molecular formula C15H10BrF3O2 and a molecular weight of 359.14 g/mol. Its IUPAC name is (2S)-2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxy-1-phenylethanone.

Molecular Properties

Compound Name(2S)-2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxy-1-phenylethanone
PubChem CID166441758
Molecular FormulaC15H10BrF3O2
Molecular Weight359.14 g/mol
Exact Mass357.98
IUPAC Name(2S)-2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxy-1-phenylethanone
SMILESO=C(c1ccccc1)[C@@H](O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C15H10BrF3O2/c16-10-6-7-11(12(8-10)15(17,18)19)14(21)13(20)9-4-2-1-3-5-9/h1-8,14,21H/t14-/m0/s1
InChIKeyPWHNAYXHDFWRHX-AWEZNQCLSA-N
XLogP4.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.14
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxy-1-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxy-1-phenylethanone?
The IUPAC name of (2S)-2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxy-1-phenylethanone (CID 166441758) is (2S)-2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxy-1-phenylethanone.
What is the SMILES notation for (2S)-2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxy-1-phenylethanone?
The canonical SMILES for (2S)-2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxy-1-phenylethanone is O=C(c1ccccc1)[C@@H](O)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of (2S)-2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxy-1-phenylethanone?
The InChIKey is PWHNAYXHDFWRHX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H10BrF3O2/c16-10-6-7-11(12(8-10)15(17,18)19)14(21)13(20)9-4-2-1-3-5-9/h1-8,14,21H/t14-/m0/s1.
What are the key properties of (2S)-2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxy-1-phenylethanone?
(2S)-2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxy-1-phenylethanone has a molecular weight of 359.14 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxy-1-phenylethanone is sourced from PubChem (CID 166441758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).