1-(5-chlorothiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C11H9ClF3NO3S — CID 63708524

IUPAC1-(5-chlorothiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(c1ccc(Cl)s1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C11H9ClF3NO3S/c12-7-2-1-6(20-7)8(17)16-4-3-10(5-16,9(18)19)11(13,14)15/h1-2H,3-5H2,(H,18,19)
InChIKeyUYTRNXOBIZKLNU-UHFFFAOYSA-N
MW327.71 g/mol
LogP2.88
Rot. Bonds2

About 1-(5-chlorothiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(5-chlorothiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63708524) has the molecular formula C11H9ClF3NO3S and a molecular weight of 327.71 g/mol. Its IUPAC name is 1-(5-chlorothiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-chlorothiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63708524
Molecular FormulaC11H9ClF3NO3S
Molecular Weight327.71 g/mol
Exact Mass326.99
IUPAC Name1-(5-chlorothiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(c1ccc(Cl)s1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C11H9ClF3NO3S/c12-7-2-1-6(20-7)8(17)16-4-3-10(5-16,9(18)19)11(13,14)15/h1-2H,3-5H2,(H,18,19)
InChIKeyUYTRNXOBIZKLNU-UHFFFAOYSA-N
XLogP2.88
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.71
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(5-chlorothiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63708524) is 1-(5-chlorothiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-chlorothiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(5-chlorothiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is O=C(c1ccc(Cl)s1)N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-(5-chlorothiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is UYTRNXOBIZKLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3NO3S/c12-7-2-1-6(20-7)8(17)16-4-3-10(5-16,9(18)19)11(13,14)15/h1-2H,3-5H2,(H,18,19).
What are the key properties of 1-(5-chlorothiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(5-chlorothiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 327.71 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63708524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).