4-(2,4-difluoro-3-methoxyphenyl)-2-(methylamino)thiophene-3-carboxylic acid

C13H11F2NO3S — CID 143954509

IUPAC4-(2,4-difluoro-3-methoxyphenyl)-2-(methylamino)thiophene-3-carboxylic acid
SMILESCNc1scc(-c2ccc(F)c(OC)c2F)c1C(=O)O
InChIInChI=1S/C13H11F2NO3S/c1-16-12-9(13(17)18)7(5-20-12)6-3-4-8(14)11(19-2)10(6)15/h3-5,16H,1-2H3,(H,17,18)
InChIKeyQEYMBCWMMBJKEV-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.44
Rot. Bonds4

About 4-(2,4-difluoro-3-methoxyphenyl)-2-(methylamino)thiophene-3-carboxylic acid

4-(2,4-difluoro-3-methoxyphenyl)-2-(methylamino)thiophene-3-carboxylic acid (PubChem CID 143954509) has the molecular formula C13H11F2NO3S and a molecular weight of 299.30 g/mol. Its IUPAC name is 4-(2,4-difluoro-3-methoxyphenyl)-2-(methylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,4-difluoro-3-methoxyphenyl)-2-(methylamino)thiophene-3-carboxylic acid
PubChem CID143954509
Molecular FormulaC13H11F2NO3S
Molecular Weight299.30 g/mol
Exact Mass299.04
IUPAC Name4-(2,4-difluoro-3-methoxyphenyl)-2-(methylamino)thiophene-3-carboxylic acid
SMILESCNc1scc(-c2ccc(F)c(OC)c2F)c1C(=O)O
InChIInChI=1S/C13H11F2NO3S/c1-16-12-9(13(17)18)7(5-20-12)6-3-4-8(14)11(19-2)10(6)15/h3-5,16H,1-2H3,(H,17,18)
InChIKeyQEYMBCWMMBJKEV-UHFFFAOYSA-N
XLogP3.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluoro-3-methoxyphenyl)-2-(methylamino)thiophene-3-carboxylic acid?
The IUPAC name of 4-(2,4-difluoro-3-methoxyphenyl)-2-(methylamino)thiophene-3-carboxylic acid (CID 143954509) is 4-(2,4-difluoro-3-methoxyphenyl)-2-(methylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(2,4-difluoro-3-methoxyphenyl)-2-(methylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 4-(2,4-difluoro-3-methoxyphenyl)-2-(methylamino)thiophene-3-carboxylic acid is CNc1scc(-c2ccc(F)c(OC)c2F)c1C(=O)O.
What is the InChIKey of 4-(2,4-difluoro-3-methoxyphenyl)-2-(methylamino)thiophene-3-carboxylic acid?
The InChIKey is QEYMBCWMMBJKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO3S/c1-16-12-9(13(17)18)7(5-20-12)6-3-4-8(14)11(19-2)10(6)15/h3-5,16H,1-2H3,(H,17,18).
What are the key properties of 4-(2,4-difluoro-3-methoxyphenyl)-2-(methylamino)thiophene-3-carboxylic acid?
4-(2,4-difluoro-3-methoxyphenyl)-2-(methylamino)thiophene-3-carboxylic acid has a molecular weight of 299.30 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluoro-3-methoxyphenyl)-2-(methylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 143954509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).