3-amino-5-(2-fluoro-5-methylphenyl)thiophene-2-carboxylic acid

C12H10FNO2S — CID 83035353

IUPAC3-amino-5-(2-fluoro-5-methylphenyl)thiophene-2-carboxylic acid
SMILESCc1ccc(F)c(-c2cc(N)c(C(=O)O)s2)c1
InChIInChI=1S/C12H10FNO2S/c1-6-2-3-8(13)7(4-6)10-5-9(14)11(17-10)12(15)16/h2-5H,14H2,1H3,(H,15,16)
InChIKeyZFUAIAFEENHTRB-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.14
Rot. Bonds2

About 3-amino-5-(2-fluoro-5-methylphenyl)thiophene-2-carboxylic acid

3-amino-5-(2-fluoro-5-methylphenyl)thiophene-2-carboxylic acid (PubChem CID 83035353) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is 3-amino-5-(2-fluoro-5-methylphenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(2-fluoro-5-methylphenyl)thiophene-2-carboxylic acid
PubChem CID83035353
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name3-amino-5-(2-fluoro-5-methylphenyl)thiophene-2-carboxylic acid
SMILESCc1ccc(F)c(-c2cc(N)c(C(=O)O)s2)c1
InChIInChI=1S/C12H10FNO2S/c1-6-2-3-8(13)7(4-6)10-5-9(14)11(17-10)12(15)16/h2-5H,14H2,1H3,(H,15,16)
InChIKeyZFUAIAFEENHTRB-UHFFFAOYSA-N
XLogP3.14
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-fluoro-5-methylphenyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-amino-5-(2-fluoro-5-methylphenyl)thiophene-2-carboxylic acid (CID 83035353) is 3-amino-5-(2-fluoro-5-methylphenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(2-fluoro-5-methylphenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(2-fluoro-5-methylphenyl)thiophene-2-carboxylic acid is Cc1ccc(F)c(-c2cc(N)c(C(=O)O)s2)c1.
What is the InChIKey of 3-amino-5-(2-fluoro-5-methylphenyl)thiophene-2-carboxylic acid?
The InChIKey is ZFUAIAFEENHTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c1-6-2-3-8(13)7(4-6)10-5-9(14)11(17-10)12(15)16/h2-5H,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-5-(2-fluoro-5-methylphenyl)thiophene-2-carboxylic acid?
3-amino-5-(2-fluoro-5-methylphenyl)thiophene-2-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-fluoro-5-methylphenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 83035353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).