2,2,2-trifluoroethyl (2S,3S)-3-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate

C10H16F3NO3 — CID 169177483

IUPAC2,2,2-trifluoroethyl (2S,3S)-3-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate
SMILESCC(C)N1CC[C@H](O)[C@H]1C(=O)OCC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-6(2)14-4-3-7(15)8(14)9(16)17-5-10(11,12)13/h6-8,15H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyPSZDIXQANFVVGA-YUMQZZPRSA-N
MW255.24 g/mol
LogP0.94
Rot. Bonds3

About 2,2,2-trifluoroethyl (2S,3S)-3-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate

2,2,2-trifluoroethyl (2S,3S)-3-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate (PubChem CID 169177483) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl (2S,3S)-3-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl (2S,3S)-3-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate
PubChem CID169177483
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name2,2,2-trifluoroethyl (2S,3S)-3-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate
SMILESCC(C)N1CC[C@H](O)[C@H]1C(=O)OCC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-6(2)14-4-3-7(15)8(14)9(16)17-5-10(11,12)13/h6-8,15H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyPSZDIXQANFVVGA-YUMQZZPRSA-N
XLogP0.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl (2S,3S)-3-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl (2S,3S)-3-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate (CID 169177483) is 2,2,2-trifluoroethyl (2S,3S)-3-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl (2S,3S)-3-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl (2S,3S)-3-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate is CC(C)N1CC[C@H](O)[C@H]1C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl (2S,3S)-3-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate?
The InChIKey is PSZDIXQANFVVGA-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-6(2)14-4-3-7(15)8(14)9(16)17-5-10(11,12)13/h6-8,15H,3-5H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of 2,2,2-trifluoroethyl (2S,3S)-3-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate?
2,2,2-trifluoroethyl (2S,3S)-3-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate has a molecular weight of 255.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl (2S,3S)-3-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate is sourced from PubChem (CID 169177483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).