propyl 3-(4-fluorophenyl)sulfanylpropanoate

C12H15FO2S — CID 78907883

IUPACpropyl 3-(4-fluorophenyl)sulfanylpropanoate
SMILESCCCOC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C12H15FO2S/c1-2-8-15-12(14)7-9-16-11-5-3-10(13)4-6-11/h3-6H,2,7-9H2,1H3
InChIKeyFXEPRPHDVKHTNB-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.26
Rot. Bonds6

About propyl 3-(4-fluorophenyl)sulfanylpropanoate

propyl 3-(4-fluorophenyl)sulfanylpropanoate (PubChem CID 78907883) has the molecular formula C12H15FO2S and a molecular weight of 242.31 g/mol. Its IUPAC name is propyl 3-(4-fluorophenyl)sulfanylpropanoate.

Molecular Properties

Compound Namepropyl 3-(4-fluorophenyl)sulfanylpropanoate
PubChem CID78907883
Molecular FormulaC12H15FO2S
Molecular Weight242.31 g/mol
Exact Mass242.08
IUPAC Namepropyl 3-(4-fluorophenyl)sulfanylpropanoate
SMILESCCCOC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C12H15FO2S/c1-2-8-15-12(14)7-9-16-11-5-3-10(13)4-6-11/h3-6H,2,7-9H2,1H3
InChIKeyFXEPRPHDVKHTNB-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze propyl 3-(4-fluorophenyl)sulfanylpropanoate 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

hydrazinyl 3-(4-fluorophenyl)sulfanylpropanoate
CID 66338804
butyl 3-(4-methylphenyl)sulfanylpropanoate
CID 10824720
butyl 3-(4-chlorophenyl)sulfanylpropanoate
CID 16750592
[2-(4-fluoroanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 8856195
propyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 54941734
(2-anilino-2-oxoethyl) 3-(4-fluorophenyl)sulfanylpropanoate
CID 7651113
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 42976650
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7762079
ethyl (2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]propanoate
CID 94194015
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7651134
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 55312583
[2-(2-bromoanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7651165

Frequently Asked Questions

What is the IUPAC name of propyl 3-(4-fluorophenyl)sulfanylpropanoate?
The IUPAC name of propyl 3-(4-fluorophenyl)sulfanylpropanoate (CID 78907883) is propyl 3-(4-fluorophenyl)sulfanylpropanoate.
What is the SMILES notation for propyl 3-(4-fluorophenyl)sulfanylpropanoate?
The canonical SMILES for propyl 3-(4-fluorophenyl)sulfanylpropanoate is CCCOC(=O)CCSc1ccc(F)cc1.
What is the InChIKey of propyl 3-(4-fluorophenyl)sulfanylpropanoate?
The InChIKey is FXEPRPHDVKHTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2S/c1-2-8-15-12(14)7-9-16-11-5-3-10(13)4-6-11/h3-6H,2,7-9H2,1H3.
What are the key properties of propyl 3-(4-fluorophenyl)sulfanylpropanoate?
propyl 3-(4-fluorophenyl)sulfanylpropanoate has a molecular weight of 242.31 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(4-fluorophenyl)sulfanylpropanoate is sourced from PubChem (CID 78907883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).