(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid

C7H8F3NO3 — CID 11082665

IUPAC(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO3/c8-7(9,10)6(14)11-3-1-2-4(11)5(12)13/h4H,1-3H2,(H,12,13)/t4-/m0/s1
InChIKeyPHJVUZNDIHXSDI-BYPYZUCNSA-N
MW211.14 g/mol
LogP0.62
Rot. Bonds1

About (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid

(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid (PubChem CID 11082665) has the molecular formula C7H8F3NO3 and a molecular weight of 211.14 g/mol. Its IUPAC name is (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
PubChem CID11082665
Molecular FormulaC7H8F3NO3
Molecular Weight211.14 g/mol
Exact Mass211.05
IUPAC Name(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO3/c8-7(9,10)6(14)11-3-1-2-4(11)5(12)13/h4H,1-3H2,(H,12,13)/t4-/m0/s1
InChIKeyPHJVUZNDIHXSDI-BYPYZUCNSA-N
XLogP0.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid (CID 11082665) is (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid?
The InChIKey is PHJVUZNDIHXSDI-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H8F3NO3/c8-7(9,10)6(14)11-3-1-2-4(11)5(12)13/h4H,1-3H2,(H,12,13)/t4-/m0/s1.
What are the key properties of (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid has a molecular weight of 211.14 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 11082665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).