1-(3-fluoro-5-methylsulfanylphenyl)propan-2-one

C10H11FOS — CID 118804158

IUPAC1-(3-fluoro-5-methylsulfanylphenyl)propan-2-one
SMILESCSc1cc(F)cc(CC(C)=O)c1
InChIInChI=1S/C10H11FOS/c1-7(12)3-8-4-9(11)6-10(5-8)13-2/h4-6H,3H2,1-2H3
InChIKeyBGLCEVCHORDVFN-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.68
Rot. Bonds3

About 1-(3-fluoro-5-methylsulfanylphenyl)propan-2-one

1-(3-fluoro-5-methylsulfanylphenyl)propan-2-one (PubChem CID 118804158) has the molecular formula C10H11FOS and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylsulfanylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-fluoro-5-methylsulfanylphenyl)propan-2-one
PubChem CID118804158
Molecular FormulaC10H11FOS
Molecular Weight198.26 g/mol
Exact Mass198.05
IUPAC Name1-(3-fluoro-5-methylsulfanylphenyl)propan-2-one
SMILESCSc1cc(F)cc(CC(C)=O)c1
InChIInChI=1S/C10H11FOS/c1-7(12)3-8-4-9(11)6-10(5-8)13-2/h4-6H,3H2,1-2H3
InChIKeyBGLCEVCHORDVFN-UHFFFAOYSA-N
XLogP2.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluoro-5-methylsulfanylphenyl)propan-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-(3-fluoro-5-methylsulfanylphenyl)propan-2-one?
The IUPAC name of 1-(3-fluoro-5-methylsulfanylphenyl)propan-2-one (CID 118804158) is 1-(3-fluoro-5-methylsulfanylphenyl)propan-2-one.
What is the SMILES notation for 1-(3-fluoro-5-methylsulfanylphenyl)propan-2-one?
The canonical SMILES for 1-(3-fluoro-5-methylsulfanylphenyl)propan-2-one is CSc1cc(F)cc(CC(C)=O)c1.
What is the InChIKey of 1-(3-fluoro-5-methylsulfanylphenyl)propan-2-one?
The InChIKey is BGLCEVCHORDVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FOS/c1-7(12)3-8-4-9(11)6-10(5-8)13-2/h4-6H,3H2,1-2H3.
What are the key properties of 1-(3-fluoro-5-methylsulfanylphenyl)propan-2-one?
1-(3-fluoro-5-methylsulfanylphenyl)propan-2-one has a molecular weight of 198.26 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylsulfanylphenyl)propan-2-one is sourced from PubChem (CID 118804158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).