1-(3-fluoro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one

C16H14F2O2S — CID 66052472

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
SMILESCOc1ccc(CC(=O)CSc2ccccc2F)cc1F
InChIInChI=1S/C16H14F2O2S/c1-20-15-7-6-11(9-14(15)18)8-12(19)10-21-16-5-3-2-4-13(16)17/h2-7,9H,8,10H2,1H3
InChIKeyRJUJKMPRIRJVIM-UHFFFAOYSA-N
MW308.35 g/mol
LogP3.88
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one

1-(3-fluoro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one (PubChem CID 66052472) has the molecular formula C16H14F2O2S and a molecular weight of 308.35 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
PubChem CID66052472
Molecular FormulaC16H14F2O2S
Molecular Weight308.35 g/mol
Exact Mass308.07
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
SMILESCOc1ccc(CC(=O)CSc2ccccc2F)cc1F
InChIInChI=1S/C16H14F2O2S/c1-20-15-7-6-11(9-14(15)18)8-12(19)10-21-16-5-3-2-4-13(16)17/h2-7,9H,8,10H2,1H3
InChIKeyRJUJKMPRIRJVIM-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluoro-4-methoxyphenyl)-3-(2-fluorophenyl)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-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
CID 82282114
1-(3-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 66054204
1-(3,4-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 82919916
1-(2-bromophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 62829143
3-(3-fluoro-4-methoxyphenyl)-1-methoxy-1-phenylpropan-2-one
CID 116751347
1-anilino-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 116555256
1-(3-fluoro-4-methoxyphenyl)-4-methoxybutan-2-one
CID 62620066
2-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032944
1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 62622130
1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one
CID 103451541
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62620103
1-(3-fluoro-4-methoxyphenyl)-3-(propylamino)propan-2-one
CID 116562712

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one (CID 66052472) is 1-(3-fluoro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one is COc1ccc(CC(=O)CSc2ccccc2F)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one?
The InChIKey is RJUJKMPRIRJVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2S/c1-20-15-7-6-11(9-14(15)18)8-12(19)10-21-16-5-3-2-4-13(16)17/h2-7,9H,8,10H2,1H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one?
1-(3-fluoro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one has a molecular weight of 308.35 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one is sourced from PubChem (CID 66052472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).