1,1,1-trifluoro-5-phenoxypentan-2-one

C11H11F3O2 — CID 25017862

IUPAC1,1,1-trifluoro-5-phenoxypentan-2-one
SMILESO=C(CCCOc1ccccc1)C(F)(F)F
InChIInChI=1S/C11H11F3O2/c12-11(13,14)10(15)7-4-8-16-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyYHXZJYMEFQXYQI-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.98
Rot. Bonds5

About 1,1,1-trifluoro-5-phenoxypentan-2-one

1,1,1-trifluoro-5-phenoxypentan-2-one (PubChem CID 25017862) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-phenoxypentan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-5-phenoxypentan-2-one
PubChem CID25017862
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name1,1,1-trifluoro-5-phenoxypentan-2-one
SMILESO=C(CCCOc1ccccc1)C(F)(F)F
InChIInChI=1S/C11H11F3O2/c12-11(13,14)10(15)7-4-8-16-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyYHXZJYMEFQXYQI-UHFFFAOYSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,1,1-trifluoro-5-phenoxypentan-2-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 1,1,1-trifluoro-5-phenoxypentan-2-one?
The IUPAC name of 1,1,1-trifluoro-5-phenoxypentan-2-one (CID 25017862) is 1,1,1-trifluoro-5-phenoxypentan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-5-phenoxypentan-2-one?
The canonical SMILES for 1,1,1-trifluoro-5-phenoxypentan-2-one is O=C(CCCOc1ccccc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-phenoxypentan-2-one?
The InChIKey is YHXZJYMEFQXYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c12-11(13,14)10(15)7-4-8-16-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2.
What are the key properties of 1,1,1-trifluoro-5-phenoxypentan-2-one?
1,1,1-trifluoro-5-phenoxypentan-2-one has a molecular weight of 232.20 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-phenoxypentan-2-one is sourced from PubChem (CID 25017862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).