2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C9H15F3N2O2 — CID 111334032

IUPAC2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CN1CC[C@@H](O)C1
InChIInChI=1S/C9H15F3N2O2/c1-13(6-9(10,11)12)8(16)5-14-3-2-7(15)4-14/h7,15H,2-6H2,1H3/t7-/m1/s1
InChIKeyNNSJLCMXSPADOQ-SSDOTTSWSA-N
MW240.22 g/mol
LogP0.07
Rot. Bonds3

About 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 111334032) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID111334032
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CN1CC[C@@H](O)C1
InChIInChI=1S/C9H15F3N2O2/c1-13(6-9(10,11)12)8(16)5-14-3-2-7(15)4-14/h7,15H,2-6H2,1H3/t7-/m1/s1
InChIKeyNNSJLCMXSPADOQ-SSDOTTSWSA-N
XLogP0.07
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 111334032) is 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)CN1CC[C@@H](O)C1.
What is the InChIKey of 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NNSJLCMXSPADOQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-13(6-9(10,11)12)8(16)5-14-3-2-7(15)4-14/h7,15H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 240.22 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 111334032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).