2-oxo-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid

C6H6F3NO3 — CID 150359842

IUPAC2-oxo-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C(F)(F)F)C1=O
InChIInChI=1S/C6H6F3NO3/c7-6(8,9)3-1-2-10(4(3)11)5(12)13/h3H,1-2H2,(H,12,13)
InChIKeyGVMHGQJRZAGBOA-UHFFFAOYSA-N
MW197.11 g/mol
LogP1.08
Rot. Bonds

About 2-oxo-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid

2-oxo-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid (PubChem CID 150359842) has the molecular formula C6H6F3NO3 and a molecular weight of 197.11 g/mol. Its IUPAC name is 2-oxo-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-oxo-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
PubChem CID150359842
Molecular FormulaC6H6F3NO3
Molecular Weight197.11 g/mol
Exact Mass197.03
IUPAC Name2-oxo-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C(F)(F)F)C1=O
InChIInChI=1S/C6H6F3NO3/c7-6(8,9)3-1-2-10(4(3)11)5(12)13/h3H,1-2H2,(H,12,13)
InChIKeyGVMHGQJRZAGBOA-UHFFFAOYSA-N
XLogP1.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.11
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-oxo-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid (CID 150359842) is 2-oxo-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-oxo-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-oxo-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid is O=C(O)N1CCC(C(F)(F)F)C1=O.
What is the InChIKey of 2-oxo-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is GVMHGQJRZAGBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO3/c7-6(8,9)3-1-2-10(4(3)11)5(12)13/h3H,1-2H2,(H,12,13).
What are the key properties of 2-oxo-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid?
2-oxo-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 197.11 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 150359842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).