methyl 3-(2-fluorophenoxy)-2-thiophen-2-ylpropanoate

C14H13FO3S — CID 117240970

IUPACmethyl 3-(2-fluorophenoxy)-2-thiophen-2-ylpropanoate
SMILESCOC(=O)C(COc1ccccc1F)c1cccs1
InChIInChI=1S/C14H13FO3S/c1-17-14(16)10(13-7-4-8-19-13)9-18-12-6-3-2-5-11(12)15/h2-8,10H,9H2,1H3
InChIKeyBURWYSBLNRKHEM-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.22
Rot. Bonds5

About methyl 3-(2-fluorophenoxy)-2-thiophen-2-ylpropanoate

methyl 3-(2-fluorophenoxy)-2-thiophen-2-ylpropanoate (PubChem CID 117240970) has the molecular formula C14H13FO3S and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 3-(2-fluorophenoxy)-2-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2-fluorophenoxy)-2-thiophen-2-ylpropanoate
PubChem CID117240970
Molecular FormulaC14H13FO3S
Molecular Weight280.32 g/mol
Exact Mass280.06
IUPAC Namemethyl 3-(2-fluorophenoxy)-2-thiophen-2-ylpropanoate
SMILESCOC(=O)C(COc1ccccc1F)c1cccs1
InChIInChI=1S/C14H13FO3S/c1-17-14(16)10(13-7-4-8-19-13)9-18-12-6-3-2-5-11(12)15/h2-8,10H,9H2,1H3
InChIKeyBURWYSBLNRKHEM-UHFFFAOYSA-N
XLogP3.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-(2-fluorophenoxy)-2-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

methyl 3-(2-methylphenoxy)-2-thiophen-2-ylpropanoate
CID 117240950
methyl 2-[(2-fluorophenoxy)methyl]-3-methylbutanoate
CID 117242489
1-(2-fluorophenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959134
2-(2-fluorophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9011592
N-[2-(2-fluorophenoxy)ethyl]-1-thiophen-2-ylethanamine
CID 60693945
2-(2-fluorophenoxy)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide
CID 71787814
methyl 3-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]propanoate
CID 54935588
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-methoxythiophene-2-carboxamide
CID 86940750
methyl 2-thiophen-2-yloctanoate
CID 67745736
methyl 3-(2-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate
CID 117240952
methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanoate
CID 60910141
3-(2-fluorophenoxy)-2-(4-methylphenyl)propanoic acid
CID 117245170

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-fluorophenoxy)-2-thiophen-2-ylpropanoate?
The IUPAC name of methyl 3-(2-fluorophenoxy)-2-thiophen-2-ylpropanoate (CID 117240970) is methyl 3-(2-fluorophenoxy)-2-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 3-(2-fluorophenoxy)-2-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 3-(2-fluorophenoxy)-2-thiophen-2-ylpropanoate is COC(=O)C(COc1ccccc1F)c1cccs1.
What is the InChIKey of methyl 3-(2-fluorophenoxy)-2-thiophen-2-ylpropanoate?
The InChIKey is BURWYSBLNRKHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO3S/c1-17-14(16)10(13-7-4-8-19-13)9-18-12-6-3-2-5-11(12)15/h2-8,10H,9H2,1H3.
What are the key properties of methyl 3-(2-fluorophenoxy)-2-thiophen-2-ylpropanoate?
methyl 3-(2-fluorophenoxy)-2-thiophen-2-ylpropanoate has a molecular weight of 280.32 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-fluorophenoxy)-2-thiophen-2-ylpropanoate is sourced from PubChem (CID 117240970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).