2,2,2-trifluoroethyl (2R)-5-oxopyrrolidine-2-carboxylate

C7H8F3NO3 — CID 11074686

IUPAC2,2,2-trifluoroethyl (2R)-5-oxopyrrolidine-2-carboxylate
SMILESO=C1CC[C@H](C(=O)OCC(F)(F)F)N1
InChIInChI=1S/C7H8F3NO3/c8-7(9,10)3-14-6(13)4-1-2-5(12)11-4/h4H,1-3H2,(H,11,12)/t4-/m1/s1
InChIKeyRNPFWYXAWUBZSN-SCSAIBSYSA-N
MW211.14 g/mol
LogP0.37
Rot. Bonds2

About 2,2,2-trifluoroethyl (2R)-5-oxopyrrolidine-2-carboxylate

2,2,2-trifluoroethyl (2R)-5-oxopyrrolidine-2-carboxylate (PubChem CID 11074686) has the molecular formula C7H8F3NO3 and a molecular weight of 211.14 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl (2R)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl (2R)-5-oxopyrrolidine-2-carboxylate
PubChem CID11074686
Molecular FormulaC7H8F3NO3
Molecular Weight211.14 g/mol
Exact Mass211.05
IUPAC Name2,2,2-trifluoroethyl (2R)-5-oxopyrrolidine-2-carboxylate
SMILESO=C1CC[C@H](C(=O)OCC(F)(F)F)N1
InChIInChI=1S/C7H8F3NO3/c8-7(9,10)3-14-6(13)4-1-2-5(12)11-4/h4H,1-3H2,(H,11,12)/t4-/m1/s1
InChIKeyRNPFWYXAWUBZSN-SCSAIBSYSA-N
XLogP0.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl (2R)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl (2R)-5-oxopyrrolidine-2-carboxylate (CID 11074686) is 2,2,2-trifluoroethyl (2R)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl (2R)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl (2R)-5-oxopyrrolidine-2-carboxylate is O=C1CC[C@H](C(=O)OCC(F)(F)F)N1.
What is the InChIKey of 2,2,2-trifluoroethyl (2R)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is RNPFWYXAWUBZSN-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H8F3NO3/c8-7(9,10)3-14-6(13)4-1-2-5(12)11-4/h4H,1-3H2,(H,11,12)/t4-/m1/s1.
What are the key properties of 2,2,2-trifluoroethyl (2R)-5-oxopyrrolidine-2-carboxylate?
2,2,2-trifluoroethyl (2R)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 211.14 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl (2R)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 11074686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).