3-fluoro-1-(5-iodothiophene-3-carbonyl)pyrrolidine-3-carboxylic acid

C10H9FINO3S — CID 119259027

IUPAC3-fluoro-1-(5-iodothiophene-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(c1csc(I)c1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C10H9FINO3S/c11-10(9(15)16)1-2-13(5-10)8(14)6-3-7(12)17-4-6/h3-4H,1-2,5H2,(H,15,16)
InChIKeyDPMKDDVTZMAHGG-UHFFFAOYSA-N
MW369.16 g/mol
LogP1.99
Rot. Bonds2

About 3-fluoro-1-(5-iodothiophene-3-carbonyl)pyrrolidine-3-carboxylic acid

3-fluoro-1-(5-iodothiophene-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 119259027) has the molecular formula C10H9FINO3S and a molecular weight of 369.16 g/mol. Its IUPAC name is 3-fluoro-1-(5-iodothiophene-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-(5-iodothiophene-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID119259027
Molecular FormulaC10H9FINO3S
Molecular Weight369.16 g/mol
Exact Mass368.93
IUPAC Name3-fluoro-1-(5-iodothiophene-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(c1csc(I)c1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C10H9FINO3S/c11-10(9(15)16)1-2-13(5-10)8(14)6-3-7(12)17-4-6/h3-4H,1-2,5H2,(H,15,16)
InChIKeyDPMKDDVTZMAHGG-UHFFFAOYSA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.16
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(5-iodothiophene-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-(5-iodothiophene-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 119259027) is 3-fluoro-1-(5-iodothiophene-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-(5-iodothiophene-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-(5-iodothiophene-3-carbonyl)pyrrolidine-3-carboxylic acid is O=C(c1csc(I)c1)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 3-fluoro-1-(5-iodothiophene-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is DPMKDDVTZMAHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FINO3S/c11-10(9(15)16)1-2-13(5-10)8(14)6-3-7(12)17-4-6/h3-4H,1-2,5H2,(H,15,16).
What are the key properties of 3-fluoro-1-(5-iodothiophene-3-carbonyl)pyrrolidine-3-carboxylic acid?
3-fluoro-1-(5-iodothiophene-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 369.16 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(5-iodothiophene-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119259027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).