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

C11H10F3NO3S — CID 63708866

IUPAC1-(thiophene-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(c1ccsc1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C11H10F3NO3S/c12-11(13,14)10(9(17)18)2-3-15(6-10)8(16)7-1-4-19-5-7/h1,4-5H,2-3,6H2,(H,17,18)
InChIKeyNLWPMXHEMCTCEJ-UHFFFAOYSA-N
MW293.27 g/mol
LogP2.23
Rot. Bonds2

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

1-(thiophene-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63708866) has the molecular formula C11H10F3NO3S and a molecular weight of 293.27 g/mol. Its IUPAC name is 1-(thiophene-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(thiophene-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63708866
Molecular FormulaC11H10F3NO3S
Molecular Weight293.27 g/mol
Exact Mass293.03
IUPAC Name1-(thiophene-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(c1ccsc1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C11H10F3NO3S/c12-11(13,14)10(9(17)18)2-3-15(6-10)8(16)7-1-4-19-5-7/h1,4-5H,2-3,6H2,(H,17,18)
InChIKeyNLWPMXHEMCTCEJ-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-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(thiophene-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63708866) is 1-(thiophene-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(thiophene-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(thiophene-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is O=C(c1ccsc1)N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-(thiophene-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is NLWPMXHEMCTCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO3S/c12-11(13,14)10(9(17)18)2-3-15(6-10)8(16)7-1-4-19-5-7/h1,4-5H,2-3,6H2,(H,17,18).
What are the key properties of 1-(thiophene-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(thiophene-3-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-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63708866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).