5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one

C11H11F3O2 — CID 2853535

IUPAC5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one
SMILESCC(=O)CC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H11F3O2/c1-8(15)7-10(16,11(12,13)14)9-5-3-2-4-6-9/h2-6,16H,7H2,1H3
InChIKeyVJAXMKZOQDXQPI-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.42
Rot. Bonds3

About 5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one

5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one (PubChem CID 2853535) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one.

Molecular Properties

Compound Name5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one
PubChem CID2853535
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one
SMILESCC(=O)CC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H11F3O2/c1-8(15)7-10(16,11(12,13)14)9-5-3-2-4-6-9/h2-6,16H,7H2,1H3
InChIKeyVJAXMKZOQDXQPI-UHFFFAOYSA-N
XLogP2.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one?
The IUPAC name of 5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one (CID 2853535) is 5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one.
What is the SMILES notation for 5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one?
The canonical SMILES for 5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one is CC(=O)CC(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one?
The InChIKey is VJAXMKZOQDXQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-8(15)7-10(16,11(12,13)14)9-5-3-2-4-6-9/h2-6,16H,7H2,1H3.
What are the key properties of 5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one?
5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one has a molecular weight of 232.20 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one is sourced from PubChem (CID 2853535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).