4-fluoro-3-(thiophen-2-ylmethoxymethyl)benzoic acid

C13H11FO3S — CID 63073470

IUPAC4-fluoro-3-(thiophen-2-ylmethoxymethyl)benzoic acid
SMILESO=C(O)c1ccc(F)c(COCc2cccs2)c1
InChIInChI=1S/C13H11FO3S/c14-12-4-3-9(13(15)16)6-10(12)7-17-8-11-2-1-5-18-11/h1-6H,7-8H2,(H,15,16)
InChIKeySBXZFQOXKGHEHY-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.30
Rot. Bonds5

About 4-fluoro-3-(thiophen-2-ylmethoxymethyl)benzoic acid

4-fluoro-3-(thiophen-2-ylmethoxymethyl)benzoic acid (PubChem CID 63073470) has the molecular formula C13H11FO3S and a molecular weight of 266.29 g/mol. Its IUPAC name is 4-fluoro-3-(thiophen-2-ylmethoxymethyl)benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-(thiophen-2-ylmethoxymethyl)benzoic acid
PubChem CID63073470
Molecular FormulaC13H11FO3S
Molecular Weight266.29 g/mol
Exact Mass266.04
IUPAC Name4-fluoro-3-(thiophen-2-ylmethoxymethyl)benzoic acid
SMILESO=C(O)c1ccc(F)c(COCc2cccs2)c1
InChIInChI=1S/C13H11FO3S/c14-12-4-3-9(13(15)16)6-10(12)7-17-8-11-2-1-5-18-11/h1-6H,7-8H2,(H,15,16)
InChIKeySBXZFQOXKGHEHY-UHFFFAOYSA-N
XLogP3.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-(2-hydroxyethoxymethyl)benzoic acid
CID 63072945
1-[4-methoxy-3-(thiophen-2-ylmethoxymethyl)phenyl]ethanone
CID 62032194
3-(2-cyclopropylethoxymethyl)-4-fluorobenzoic acid
CID 106199330
3-[(3,5-difluorophenoxy)methyl]-4-fluorobenzoic acid
CID 63073644
4-fluoro-3-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 43238358
4-fluoro-3-thiophen-2-ylbenzoic acid
CID 52984079
4-nitro-3-(thiophen-2-ylmethoxy)benzoic acid
CID 62114686
1-(3-fluorophenyl)-2-(thiophen-2-ylmethoxy)ethanone
CID 62034554
4-(thiophen-2-ylmethoxy)quinazoline-7-carboxylic acid
CID 63263288
2-fluoro-5-(2-thiophen-2-ylethoxymethyl)benzoic acid
CID 107881207
3-[(3,5-dimethylcyclohexyl)oxymethyl]-4-fluorobenzoic acid
CID 64731427
4-fluoro-3-(pyridin-3-yloxymethyl)benzoic acid
CID 63074970

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(thiophen-2-ylmethoxymethyl)benzoic acid?
The IUPAC name of 4-fluoro-3-(thiophen-2-ylmethoxymethyl)benzoic acid (CID 63073470) is 4-fluoro-3-(thiophen-2-ylmethoxymethyl)benzoic acid.
What is the SMILES notation for 4-fluoro-3-(thiophen-2-ylmethoxymethyl)benzoic acid?
The canonical SMILES for 4-fluoro-3-(thiophen-2-ylmethoxymethyl)benzoic acid is O=C(O)c1ccc(F)c(COCc2cccs2)c1.
What is the InChIKey of 4-fluoro-3-(thiophen-2-ylmethoxymethyl)benzoic acid?
The InChIKey is SBXZFQOXKGHEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO3S/c14-12-4-3-9(13(15)16)6-10(12)7-17-8-11-2-1-5-18-11/h1-6H,7-8H2,(H,15,16).
What are the key properties of 4-fluoro-3-(thiophen-2-ylmethoxymethyl)benzoic acid?
4-fluoro-3-(thiophen-2-ylmethoxymethyl)benzoic acid has a molecular weight of 266.29 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(thiophen-2-ylmethoxymethyl)benzoic acid is sourced from PubChem (CID 63073470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).