[2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl] 2,2,2-trifluoroacetate

C8H9F4NO3 — CID 140765197

IUPAC[2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl] 2,2,2-trifluoroacetate
SMILESO=C(COC(=O)C(F)(F)F)N1CC[C@@H](F)C1
InChIInChI=1S/C8H9F4NO3/c9-5-1-2-13(3-5)6(14)4-16-7(15)8(10,11)12/h5H,1-4H2/t5-/m1/s1
InChIKeyLIQBEKWNUNIPBY-RXMQYKEDSA-N
MW243.16 g/mol
LogP0.66
Rot. Bonds2

About [2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl] 2,2,2-trifluoroacetate

[2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl] 2,2,2-trifluoroacetate (PubChem CID 140765197) has the molecular formula C8H9F4NO3 and a molecular weight of 243.16 g/mol. Its IUPAC name is [2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl] 2,2,2-trifluoroacetate
PubChem CID140765197
Molecular FormulaC8H9F4NO3
Molecular Weight243.16 g/mol
Exact Mass243.05
IUPAC Name[2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl] 2,2,2-trifluoroacetate
SMILESO=C(COC(=O)C(F)(F)F)N1CC[C@@H](F)C1
InChIInChI=1S/C8H9F4NO3/c9-5-1-2-13(3-5)6(14)4-16-7(15)8(10,11)12/h5H,1-4H2/t5-/m1/s1
InChIKeyLIQBEKWNUNIPBY-RXMQYKEDSA-N
XLogP0.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.16
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl] 2,2,2-trifluoroacetate (CID 140765197) is [2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl] 2,2,2-trifluoroacetate is O=C(COC(=O)C(F)(F)F)N1CC[C@@H](F)C1.
What is the InChIKey of [2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl] 2,2,2-trifluoroacetate?
The InChIKey is LIQBEKWNUNIPBY-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H9F4NO3/c9-5-1-2-13(3-5)6(14)4-16-7(15)8(10,11)12/h5H,1-4H2/t5-/m1/s1.
What are the key properties of [2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl] 2,2,2-trifluoroacetate?
[2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl] 2,2,2-trifluoroacetate has a molecular weight of 243.16 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 140765197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).