2-thiophen-2-ylethyl 2-fluoro-4-methoxybenzoate

C14H13FO3S — CID 113227820

IUPAC2-thiophen-2-ylethyl 2-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCCc2cccs2)c(F)c1
InChIInChI=1S/C14H13FO3S/c1-17-10-4-5-12(13(15)9-10)14(16)18-7-6-11-3-2-8-19-11/h2-5,8-9H,6-7H2,1H3
InChIKeyZENSZJAEQLJTPZ-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.30
Rot. Bonds5

About 2-thiophen-2-ylethyl 2-fluoro-4-methoxybenzoate

2-thiophen-2-ylethyl 2-fluoro-4-methoxybenzoate (PubChem CID 113227820) has the molecular formula C14H13FO3S and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-thiophen-2-ylethyl 2-fluoro-4-methoxybenzoate.

Molecular Properties

Compound Name2-thiophen-2-ylethyl 2-fluoro-4-methoxybenzoate
PubChem CID113227820
Molecular FormulaC14H13FO3S
Molecular Weight280.32 g/mol
Exact Mass280.06
IUPAC Name2-thiophen-2-ylethyl 2-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCCc2cccs2)c(F)c1
InChIInChI=1S/C14H13FO3S/c1-17-10-4-5-12(13(15)9-10)14(16)18-7-6-11-3-2-8-19-11/h2-5,8-9H,6-7H2,1H3
InChIKeyZENSZJAEQLJTPZ-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-thiophen-2-ylethyl 2-fluoro-4-methoxybenzoate 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-thiophen-2-ylethyl 2-amino-4-methoxybenzoate
CID 78960520
[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7490880
2-thiophen-2-ylethyl 2-fluoro-3-methylbenzoate
CID 80712277
2-(2-methylpropoxy)ethyl 2-fluoro-4-methoxybenzoate
CID 106450495
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,4-dimethoxybenzoate
CID 7604434
benzyl 2-fluoro-4-methoxybenzoate
CID 103602947
2-thiophen-2-ylethyl 2,3-diamino-5-methylbenzoate
CID 81444536
2-hydroxy-4-methoxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 38560370
1-[4-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanone
CID 63774355
2-thiophen-2-ylethyl 2-amino-6-methoxybenzoate
CID 81413803
(4-phenylphenyl)methyl 2-fluoro-4-methoxybenzoate
CID 7490992
1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-1-one
CID 63773682

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethyl 2-fluoro-4-methoxybenzoate?
The IUPAC name of 2-thiophen-2-ylethyl 2-fluoro-4-methoxybenzoate (CID 113227820) is 2-thiophen-2-ylethyl 2-fluoro-4-methoxybenzoate.
What is the SMILES notation for 2-thiophen-2-ylethyl 2-fluoro-4-methoxybenzoate?
The canonical SMILES for 2-thiophen-2-ylethyl 2-fluoro-4-methoxybenzoate is COc1ccc(C(=O)OCCc2cccs2)c(F)c1.
What is the InChIKey of 2-thiophen-2-ylethyl 2-fluoro-4-methoxybenzoate?
The InChIKey is ZENSZJAEQLJTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO3S/c1-17-10-4-5-12(13(15)9-10)14(16)18-7-6-11-3-2-8-19-11/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 2-thiophen-2-ylethyl 2-fluoro-4-methoxybenzoate?
2-thiophen-2-ylethyl 2-fluoro-4-methoxybenzoate has a molecular weight of 280.32 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethyl 2-fluoro-4-methoxybenzoate is sourced from PubChem (CID 113227820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).