1-(3,5-difluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-one

C16H14F2OS — CID 105405333

IUPAC1-(3,5-difluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-one
SMILESCc1cccc(SCC(=O)Cc2cc(F)cc(F)c2)c1
InChIInChI=1S/C16H14F2OS/c1-11-3-2-4-16(5-11)20-10-15(19)8-12-6-13(17)9-14(18)7-12/h2-7,9H,8,10H2,1H3
InChIKeyXVUMKLCNSBMTKY-UHFFFAOYSA-N
MW292.35 g/mol
LogP4.18
Rot. Bonds5

About 1-(3,5-difluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-one

1-(3,5-difluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-one (PubChem CID 105405333) has the molecular formula C16H14F2OS and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-one
PubChem CID105405333
Molecular FormulaC16H14F2OS
Molecular Weight292.35 g/mol
Exact Mass292.07
IUPAC Name1-(3,5-difluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-one
SMILESCc1cccc(SCC(=O)Cc2cc(F)cc(F)c2)c1
InChIInChI=1S/C16H14F2OS/c1-11-3-2-4-16(5-11)20-10-15(19)8-12-6-13(17)9-14(18)7-12/h2-7,9H,8,10H2,1H3
InChIKeyXVUMKLCNSBMTKY-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-(3,5-difluorophenyl)-3-(3-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

Related Compounds

1-(3-methylphenyl)-3-phenylsulfanylpropan-2-one
CID 65141813
1-(3-methylphenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-one
CID 66087741
1-(3,4-dimethylphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
CID 66072049
1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)sulfanylpropan-2-one
CID 104793476
1-(4-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
CID 66070184
1-(3-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-one
CID 66065763
1-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)sulfanylpropan-2-one
CID 66086002
1-(3-methylphenyl)sulfanylpent-4-en-2-one
CID 66086575
1-(3-chlorophenyl)sulfanyl-3-(4-fluorophenyl)propan-2-one
CID 62646475
ethyl 5-(3-methylphenyl)sulfanyl-4-oxopentanoate
CID 66323173
1-(4-bromophenyl)sulfanyl-3-(3-methylphenyl)propan-2-one
CID 66057251
1-(5-ethyl-2-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one
CID 79746277

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-one?
The IUPAC name of 1-(3,5-difluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-one (CID 105405333) is 1-(3,5-difluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-one.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-one?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-one is Cc1cccc(SCC(=O)Cc2cc(F)cc(F)c2)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-one?
The InChIKey is XVUMKLCNSBMTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2OS/c1-11-3-2-4-16(5-11)20-10-15(19)8-12-6-13(17)9-14(18)7-12/h2-7,9H,8,10H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-one?
1-(3,5-difluorophenyl)-3-(3-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-(3,5-difluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-one is sourced from PubChem (CID 105405333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).