5-[2,2-difluoroethyl(2-methoxyethyl)carbamoyl]thiophene-2-carboxylic acid

C11H13F2NO4S — CID 119183837

IUPAC5-[2,2-difluoroethyl(2-methoxyethyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCOCCN(CC(F)F)C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C11H13F2NO4S/c1-18-5-4-14(6-9(12)13)10(15)7-2-3-8(19-7)11(16)17/h2-3,9H,4-6H2,1H3,(H,16,17)
InChIKeyLBZXFNQMGPRBGE-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.80
Rot. Bonds7

About 5-[2,2-difluoroethyl(2-methoxyethyl)carbamoyl]thiophene-2-carboxylic acid

5-[2,2-difluoroethyl(2-methoxyethyl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 119183837) has the molecular formula C11H13F2NO4S and a molecular weight of 293.29 g/mol. Its IUPAC name is 5-[2,2-difluoroethyl(2-methoxyethyl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2,2-difluoroethyl(2-methoxyethyl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID119183837
Molecular FormulaC11H13F2NO4S
Molecular Weight293.29 g/mol
Exact Mass293.05
IUPAC Name5-[2,2-difluoroethyl(2-methoxyethyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCOCCN(CC(F)F)C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C11H13F2NO4S/c1-18-5-4-14(6-9(12)13)10(15)7-2-3-8(19-7)11(16)17/h2-3,9H,4-6H2,1H3,(H,16,17)
InChIKeyLBZXFNQMGPRBGE-UHFFFAOYSA-N
XLogP1.80
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2,2-difluoroethyl(2-methoxyethyl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[2,2-difluoroethyl(2-methoxyethyl)carbamoyl]thiophene-2-carboxylic acid (CID 119183837) is 5-[2,2-difluoroethyl(2-methoxyethyl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2,2-difluoroethyl(2-methoxyethyl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[2,2-difluoroethyl(2-methoxyethyl)carbamoyl]thiophene-2-carboxylic acid is COCCN(CC(F)F)C(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[2,2-difluoroethyl(2-methoxyethyl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is LBZXFNQMGPRBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO4S/c1-18-5-4-14(6-9(12)13)10(15)7-2-3-8(19-7)11(16)17/h2-3,9H,4-6H2,1H3,(H,16,17).
What are the key properties of 5-[2,2-difluoroethyl(2-methoxyethyl)carbamoyl]thiophene-2-carboxylic acid?
5-[2,2-difluoroethyl(2-methoxyethyl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 293.29 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-difluoroethyl(2-methoxyethyl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 119183837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).