2-[2-amino-5-(4-fluorophenyl)thiophen-3-yl]acetic acid

C12H10FNO2S — CID 174546182

IUPAC2-[2-amino-5-(4-fluorophenyl)thiophen-3-yl]acetic acid
SMILESNc1sc(-c2ccc(F)cc2)cc1CC(=O)O
InChIInChI=1S/C12H10FNO2S/c13-9-3-1-7(2-4-9)10-5-8(6-11(15)16)12(14)17-10/h1-5H,6,14H2,(H,15,16)
InChIKeyVMEWJNKHNNHBDG-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.76
Rot. Bonds3

About 2-[2-amino-5-(4-fluorophenyl)thiophen-3-yl]acetic acid

2-[2-amino-5-(4-fluorophenyl)thiophen-3-yl]acetic acid (PubChem CID 174546182) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[2-amino-5-(4-fluorophenyl)thiophen-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-amino-5-(4-fluorophenyl)thiophen-3-yl]acetic acid
PubChem CID174546182
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name2-[2-amino-5-(4-fluorophenyl)thiophen-3-yl]acetic acid
SMILESNc1sc(-c2ccc(F)cc2)cc1CC(=O)O
InChIInChI=1S/C12H10FNO2S/c13-9-3-1-7(2-4-9)10-5-8(6-11(15)16)12(14)17-10/h1-5H,6,14H2,(H,15,16)
InChIKeyVMEWJNKHNNHBDG-UHFFFAOYSA-N
XLogP2.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(4-fluorophenyl)thiophen-3-yl]acetic acid?
The IUPAC name of 2-[2-amino-5-(4-fluorophenyl)thiophen-3-yl]acetic acid (CID 174546182) is 2-[2-amino-5-(4-fluorophenyl)thiophen-3-yl]acetic acid.
What is the SMILES notation for 2-[2-amino-5-(4-fluorophenyl)thiophen-3-yl]acetic acid?
The canonical SMILES for 2-[2-amino-5-(4-fluorophenyl)thiophen-3-yl]acetic acid is Nc1sc(-c2ccc(F)cc2)cc1CC(=O)O.
What is the InChIKey of 2-[2-amino-5-(4-fluorophenyl)thiophen-3-yl]acetic acid?
The InChIKey is VMEWJNKHNNHBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c13-9-3-1-7(2-4-9)10-5-8(6-11(15)16)12(14)17-10/h1-5H,6,14H2,(H,15,16).
What are the key properties of 2-[2-amino-5-(4-fluorophenyl)thiophen-3-yl]acetic acid?
2-[2-amino-5-(4-fluorophenyl)thiophen-3-yl]acetic acid has a molecular weight of 251.28 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(4-fluorophenyl)thiophen-3-yl]acetic acid is sourced from PubChem (CID 174546182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).