1-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C11H10F3NO3S — CID 63708687

IUPAC1-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(c1cccs1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C11H10F3NO3S/c12-11(13,14)10(9(17)18)3-4-15(6-10)8(16)7-2-1-5-19-7/h1-2,5H,3-4,6H2,(H,17,18)
InChIKeyQOMACLJXISOFMW-UHFFFAOYSA-N
MW293.27 g/mol
LogP2.23
Rot. Bonds2

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

1-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63708687) has the molecular formula C11H10F3NO3S and a molecular weight of 293.27 g/mol. Its IUPAC name is 1-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63708687
Molecular FormulaC11H10F3NO3S
Molecular Weight293.27 g/mol
Exact Mass293.03
IUPAC Name1-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(c1cccs1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C11H10F3NO3S/c12-11(13,14)10(9(17)18)3-4-15(6-10)8(16)7-2-1-5-19-7/h1-2,5H,3-4,6H2,(H,17,18)
InChIKeyQOMACLJXISOFMW-UHFFFAOYSA-N
XLogP2.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63708687) is 1-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is O=C(c1cccs1)N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is QOMACLJXISOFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO3S/c12-11(13,14)10(9(17)18)3-4-15(6-10)8(16)7-2-1-5-19-7/h1-2,5H,3-4,6H2,(H,17,18).
What are the key properties of 1-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 293.27 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63708687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).