2-fluoro-5-(2-thiophen-2-ylethoxymethyl)benzoic acid

C14H13FO3S — CID 107881207

IUPAC2-fluoro-5-(2-thiophen-2-ylethoxymethyl)benzoic acid
SMILESO=C(O)c1cc(COCCc2cccs2)ccc1F
InChIInChI=1S/C14H13FO3S/c15-13-4-3-10(8-12(13)14(16)17)9-18-6-5-11-2-1-7-19-11/h1-4,7-8H,5-6,9H2,(H,16,17)
InChIKeyOJQTUUQWTJEWPU-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.34
Rot. Bonds6

About 2-fluoro-5-(2-thiophen-2-ylethoxymethyl)benzoic acid

2-fluoro-5-(2-thiophen-2-ylethoxymethyl)benzoic acid (PubChem CID 107881207) has the molecular formula C14H13FO3S and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-fluoro-5-(2-thiophen-2-ylethoxymethyl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-(2-thiophen-2-ylethoxymethyl)benzoic acid
PubChem CID107881207
Molecular FormulaC14H13FO3S
Molecular Weight280.32 g/mol
Exact Mass280.06
IUPAC Name2-fluoro-5-(2-thiophen-2-ylethoxymethyl)benzoic acid
SMILESO=C(O)c1cc(COCCc2cccs2)ccc1F
InChIInChI=1S/C14H13FO3S/c15-13-4-3-10(8-12(13)14(16)17)9-18-6-5-11-2-1-7-19-11/h1-4,7-8H,5-6,9H2,(H,16,17)
InChIKeyOJQTUUQWTJEWPU-UHFFFAOYSA-N
XLogP3.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-(2-phenoxyethoxymethyl)benzoic acid
CID 107881120
5-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-carboxylic acid
CID 65293795
2-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene
CID 19099065
5-(2-thiophen-2-ylethoxymethyl)furan-3-carboxylic acid
CID 62268855
2-fluoro-5-(4,4,4-trifluorobutoxymethyl)benzoic acid
CID 107881260
2-fluoro-5-(heptoxymethyl)benzoic acid
CID 114012263
2-fluoro-5-(2-thiophen-2-ylethylcarbamoylamino)benzoic acid
CID 61190854
2-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzoic acid
CID 106698358
2-[2-[(4-bromo-3-nitrophenyl)methoxy]ethyl]thiophene
CID 113335363
2-fluoro-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]benzoic acid
CID 106699173
2-fluoro-4-(propoxymethyl)benzoic acid
CID 18913749
2-fluoro-5-(2-hydroxyethyl)benzoic acid
CID 2774487

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-thiophen-2-ylethoxymethyl)benzoic acid?
The IUPAC name of 2-fluoro-5-(2-thiophen-2-ylethoxymethyl)benzoic acid (CID 107881207) is 2-fluoro-5-(2-thiophen-2-ylethoxymethyl)benzoic acid.
What is the SMILES notation for 2-fluoro-5-(2-thiophen-2-ylethoxymethyl)benzoic acid?
The canonical SMILES for 2-fluoro-5-(2-thiophen-2-ylethoxymethyl)benzoic acid is O=C(O)c1cc(COCCc2cccs2)ccc1F.
What is the InChIKey of 2-fluoro-5-(2-thiophen-2-ylethoxymethyl)benzoic acid?
The InChIKey is OJQTUUQWTJEWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO3S/c15-13-4-3-10(8-12(13)14(16)17)9-18-6-5-11-2-1-7-19-11/h1-4,7-8H,5-6,9H2,(H,16,17).
What are the key properties of 2-fluoro-5-(2-thiophen-2-ylethoxymethyl)benzoic acid?
2-fluoro-5-(2-thiophen-2-ylethoxymethyl)benzoic acid has a molecular weight of 280.32 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-thiophen-2-ylethoxymethyl)benzoic acid is sourced from PubChem (CID 107881207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).