1-(3-fluorophenoxy)propan-2-yl 3-thiophen-2-ylpropanoate

C16H17FO3S — CID 86904818

IUPAC1-(3-fluorophenoxy)propan-2-yl 3-thiophen-2-ylpropanoate
SMILESCC(COc1cccc(F)c1)OC(=O)CCc1cccs1
InChIInChI=1S/C16H17FO3S/c1-12(11-19-14-5-2-4-13(17)10-14)20-16(18)8-7-15-6-3-9-21-15/h2-6,9-10,12H,7-8,11H2,1H3
InChIKeyFACZYSNNTLAVHM-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.83
Rot. Bonds7

About 1-(3-fluorophenoxy)propan-2-yl 3-thiophen-2-ylpropanoate

1-(3-fluorophenoxy)propan-2-yl 3-thiophen-2-ylpropanoate (PubChem CID 86904818) has the molecular formula C16H17FO3S and a molecular weight of 308.37 g/mol. Its IUPAC name is 1-(3-fluorophenoxy)propan-2-yl 3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Name1-(3-fluorophenoxy)propan-2-yl 3-thiophen-2-ylpropanoate
PubChem CID86904818
Molecular FormulaC16H17FO3S
Molecular Weight308.37 g/mol
Exact Mass308.09
IUPAC Name1-(3-fluorophenoxy)propan-2-yl 3-thiophen-2-ylpropanoate
SMILESCC(COc1cccc(F)c1)OC(=O)CCc1cccs1
InChIInChI=1S/C16H17FO3S/c1-12(11-19-14-5-2-4-13(17)10-14)20-16(18)8-7-15-6-3-9-21-15/h2-6,9-10,12H,7-8,11H2,1H3
InChIKeyFACZYSNNTLAVHM-UHFFFAOYSA-N
XLogP3.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluorophenoxy)propan-2-yl 3-thiophen-2-ylpropanoate 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

2-[(3-fluorophenoxy)methyl]-3-thiophen-2-ylpropan-1-ol
CID 117246264
1-(3-fluorophenoxy)propan-2-yl 3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)propanoate
CID 86904845
1-(3-fluorophenoxy)propan-2-yl 2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetate
CID 86904893
1-(3-fluorophenoxy)propan-2-yl 2-(methoxymethyl)benzoate
CID 86904874
1-(3-fluorophenoxy)propan-2-yl 2,5-dimethoxybenzoate
CID 86904877
1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 94029464
methyl 3-(3-fluorophenoxy)propanoate
CID 28889468
1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-one
CID 114973227
4-O-but-3-yn-2-yl 1-O-(3-fluorophenyl) butanedioate
CID 91702083
[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 3-thiophen-2-ylpropanoate
CID 55359259
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate
CID 7962685
[(1R)-1-(3-fluorophenoxy)-1-phenylpropan-2-yl] 3-phenylpropanoate
CID 145114643

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenoxy)propan-2-yl 3-thiophen-2-ylpropanoate?
The IUPAC name of 1-(3-fluorophenoxy)propan-2-yl 3-thiophen-2-ylpropanoate (CID 86904818) is 1-(3-fluorophenoxy)propan-2-yl 3-thiophen-2-ylpropanoate.
What is the SMILES notation for 1-(3-fluorophenoxy)propan-2-yl 3-thiophen-2-ylpropanoate?
The canonical SMILES for 1-(3-fluorophenoxy)propan-2-yl 3-thiophen-2-ylpropanoate is CC(COc1cccc(F)c1)OC(=O)CCc1cccs1.
What is the InChIKey of 1-(3-fluorophenoxy)propan-2-yl 3-thiophen-2-ylpropanoate?
The InChIKey is FACZYSNNTLAVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3S/c1-12(11-19-14-5-2-4-13(17)10-14)20-16(18)8-7-15-6-3-9-21-15/h2-6,9-10,12H,7-8,11H2,1H3.
What are the key properties of 1-(3-fluorophenoxy)propan-2-yl 3-thiophen-2-ylpropanoate?
1-(3-fluorophenoxy)propan-2-yl 3-thiophen-2-ylpropanoate has a molecular weight of 308.37 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenoxy)propan-2-yl 3-thiophen-2-ylpropanoate is sourced from PubChem (CID 86904818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).