1-(3,4-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one

C16H14F2OS — CID 82919916

IUPAC1-(3,4-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
SMILESCc1ccccc1SCC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H14F2OS/c1-11-4-2-3-5-16(11)20-10-13(19)8-12-6-7-14(17)15(18)9-12/h2-7,9H,8,10H2,1H3
InChIKeyVVUWWFUCHYRHMQ-UHFFFAOYSA-N
MW292.35 g/mol
LogP4.18
Rot. Bonds5

About 1-(3,4-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one

1-(3,4-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one (PubChem CID 82919916) has the molecular formula C16H14F2OS and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
PubChem CID82919916
Molecular FormulaC16H14F2OS
Molecular Weight292.35 g/mol
Exact Mass292.07
IUPAC Name1-(3,4-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
SMILESCc1ccccc1SCC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H14F2OS/c1-11-4-2-3-5-16(11)20-10-13(19)8-12-6-7-14(17)15(18)9-12/h2-7,9H,8,10H2,1H3
InChIKeyVVUWWFUCHYRHMQ-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-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-(3,4-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one (CID 82919916) is 1-(3,4-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one is Cc1ccccc1SCC(=O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one?
The InChIKey is VVUWWFUCHYRHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2OS/c1-11-4-2-3-5-16(11)20-10-13(19)8-12-6-7-14(17)15(18)9-12/h2-7,9H,8,10H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one?
1-(3,4-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one has a molecular weight of 292.35 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one is sourced from PubChem (CID 82919916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).