1-(4-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one

C11H10ClF3O2 — CID 11076394

IUPAC1-(4-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one
SMILESCC(O)(CC(=O)c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C11H10ClF3O2/c1-10(17,11(13,14)15)6-9(16)7-2-4-8(12)5-3-7/h2-5,17H,6H2,1H3
InChIKeyOYRWYYYAKNVMDE-UHFFFAOYSA-N
MW266.65 g/mol
LogP3.23
Rot. Bonds3

About 1-(4-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one

1-(4-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one (PubChem CID 11076394) has the molecular formula C11H10ClF3O2 and a molecular weight of 266.65 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one
PubChem CID11076394
Molecular FormulaC11H10ClF3O2
Molecular Weight266.65 g/mol
Exact Mass266.03
IUPAC Name1-(4-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one
SMILESCC(O)(CC(=O)c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C11H10ClF3O2/c1-10(17,11(13,14)15)6-9(16)7-2-4-8(12)5-3-7/h2-5,17H,6H2,1H3
InChIKeyOYRWYYYAKNVMDE-UHFFFAOYSA-N
XLogP3.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one 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 1-(4-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one (CID 11076394) is 1-(4-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one is CC(O)(CC(=O)c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of 1-(4-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one?
The InChIKey is OYRWYYYAKNVMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3O2/c1-10(17,11(13,14)15)6-9(16)7-2-4-8(12)5-3-7/h2-5,17H,6H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one?
1-(4-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one has a molecular weight of 266.65 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one is sourced from PubChem (CID 11076394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).