2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]acetic acid

C13H11FO3S — CID 53397678

IUPAC2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]acetic acid
SMILESO=C(O)COCc1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C13H11FO3S/c14-10-3-1-9(2-4-10)12-6-5-11(18-12)7-17-8-13(15)16/h1-6H,7-8H2,(H,15,16)
InChIKeyDFBMITNQCJGEOC-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.16
Rot. Bonds5

About 2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]acetic acid

2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]acetic acid (PubChem CID 53397678) has the molecular formula C13H11FO3S and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]acetic acid
PubChem CID53397678
Molecular FormulaC13H11FO3S
Molecular Weight266.29 g/mol
Exact Mass266.04
IUPAC Name2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]acetic acid
SMILESO=C(O)COCc1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C13H11FO3S/c14-10-3-1-9(2-4-10)12-6-5-11(18-12)7-17-8-13(15)16/h1-6H,7-8H2,(H,15,16)
InChIKeyDFBMITNQCJGEOC-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-fluorophenyl)thiophen-2-yl]acetic acid
CID 84756415
(2S)-2-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]-3-methylbutanoic acid
CID 120510670
3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl-methylamino]-2-methylpropanoic acid
CID 122047013
N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]ethanamine
CID 43214098
3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylpropan-1-one
CID 24946900
3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide
CID 175825964
2-[2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 9182743
2-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 175825972
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 31712845
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 18192437
2-[(2,6-dimethylphenyl)methyl]-5-(4-fluorophenyl)thiophene
CID 122535416
2-[(2-chloro-5-fluorophenyl)methoxy]acetic acid
CID 102615107

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]acetic acid?
The IUPAC name of 2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]acetic acid (CID 53397678) is 2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]acetic acid is O=C(O)COCc1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]acetic acid?
The InChIKey is DFBMITNQCJGEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO3S/c14-10-3-1-9(2-4-10)12-6-5-11(18-12)7-17-8-13(15)16/h1-6H,7-8H2,(H,15,16).
What are the key properties of 2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]acetic acid?
2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]acetic acid has a molecular weight of 266.29 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]acetic acid is sourced from PubChem (CID 53397678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).