(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

C7H9F3N2O2 — CID 22791901

IUPAC(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C7H9F3N2O2/c8-7(9,10)6(14)12-3-1-2-4(12)5(11)13/h4H,1-3H2,(H2,11,13)/t4-/m0/s1
InChIKeyKMGUQMJJSGXOLK-BYPYZUCNSA-N
MW210.15 g/mol
LogP0.03
Rot. Bonds1

About (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (PubChem CID 22791901) has the molecular formula C7H9F3N2O2 and a molecular weight of 210.15 g/mol. Its IUPAC name is (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
PubChem CID22791901
Molecular FormulaC7H9F3N2O2
Molecular Weight210.15 g/mol
Exact Mass210.06
IUPAC Name(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C7H9F3N2O2/c8-7(9,10)6(14)12-3-1-2-4(12)5(11)13/h4H,1-3H2,(H2,11,13)/t4-/m0/s1
InChIKeyKMGUQMJJSGXOLK-BYPYZUCNSA-N
XLogP0.03
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 50.03
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-carboxamide?
The IUPAC name of (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (CID 22791901) is (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The InChIKey is KMGUQMJJSGXOLK-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H9F3N2O2/c8-7(9,10)6(14)12-3-1-2-4(12)5(11)13/h4H,1-3H2,(H2,11,13)/t4-/m0/s1.
What are the key properties of (2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide has a molecular weight of 210.15 g/mol, XLogP of 0.03, 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-carboxamide is sourced from PubChem (CID 22791901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).