1-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-one

C15H12F3NOS — CID 43426391

IUPAC1-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-one
SMILESCC(Sc1ccc(C(F)(F)F)cn1)C(=O)c1ccccc1
InChIInChI=1S/C15H12F3NOS/c1-10(14(20)11-5-3-2-4-6-11)21-13-8-7-12(9-19-13)15(16,17)18/h2-10H,1H3
InChIKeyRAXGTCKEZPBMNE-UHFFFAOYSA-N
MW311.33 g/mol
LogP4.46
Rot. Bonds4

About 1-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-one

1-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-one (PubChem CID 43426391) has the molecular formula C15H12F3NOS and a molecular weight of 311.33 g/mol. Its IUPAC name is 1-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-one.

Molecular Properties

Compound Name1-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-one
PubChem CID43426391
Molecular FormulaC15H12F3NOS
Molecular Weight311.33 g/mol
Exact Mass311.06
IUPAC Name1-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-one
SMILESCC(Sc1ccc(C(F)(F)F)cn1)C(=O)c1ccccc1
InChIInChI=1S/C15H12F3NOS/c1-10(14(20)11-5-3-2-4-6-11)21-13-8-7-12(9-19-13)15(16,17)18/h2-10H,1H3
InChIKeyRAXGTCKEZPBMNE-UHFFFAOYSA-N
XLogP4.46
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-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-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-one?
The IUPAC name of 1-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-one (CID 43426391) is 1-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-one.
What is the SMILES notation for 1-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-one?
The canonical SMILES for 1-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-one is CC(Sc1ccc(C(F)(F)F)cn1)C(=O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-one?
The InChIKey is RAXGTCKEZPBMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NOS/c1-10(14(20)11-5-3-2-4-6-11)21-13-8-7-12(9-19-13)15(16,17)18/h2-10H,1H3.
What are the key properties of 1-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-one?
1-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-one has a molecular weight of 311.33 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-one is sourced from PubChem (CID 43426391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).