1-(2,5-dichlorothiophene-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid

C10H8Cl2FNO3S — CID 119259132

IUPAC1-(2,5-dichlorothiophene-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(c1cc(Cl)sc1Cl)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C10H8Cl2FNO3S/c11-6-3-5(7(12)18-6)8(15)14-2-1-10(13,4-14)9(16)17/h3H,1-2,4H2,(H,16,17)
InChIKeyGWFMCSDLERZKAI-UHFFFAOYSA-N
MW312.15 g/mol
LogP2.69
Rot. Bonds2

About 1-(2,5-dichlorothiophene-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid

1-(2,5-dichlorothiophene-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 119259132) has the molecular formula C10H8Cl2FNO3S and a molecular weight of 312.15 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophene-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dichlorothiophene-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID119259132
Molecular FormulaC10H8Cl2FNO3S
Molecular Weight312.15 g/mol
Exact Mass310.96
IUPAC Name1-(2,5-dichlorothiophene-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(c1cc(Cl)sc1Cl)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C10H8Cl2FNO3S/c11-6-3-5(7(12)18-6)8(15)14-2-1-10(13,4-14)9(16)17/h3H,1-2,4H2,(H,16,17)
InChIKeyGWFMCSDLERZKAI-UHFFFAOYSA-N
XLogP2.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophene-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2,5-dichlorothiophene-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid (CID 119259132) is 1-(2,5-dichlorothiophene-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,5-dichlorothiophene-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2,5-dichlorothiophene-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid is O=C(c1cc(Cl)sc1Cl)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 1-(2,5-dichlorothiophene-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is GWFMCSDLERZKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2FNO3S/c11-6-3-5(7(12)18-6)8(15)14-2-1-10(13,4-14)9(16)17/h3H,1-2,4H2,(H,16,17).
What are the key properties of 1-(2,5-dichlorothiophene-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
1-(2,5-dichlorothiophene-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 312.15 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophene-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119259132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).