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

C12H21F3N2O2 — CID 111334063

IUPAC2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CN1CC[C@@H](O)C1
InChIInChI=1S/C12H21F3N2O2/c1-9(2)5-17(8-12(13,14)15)11(19)7-16-4-3-10(18)6-16/h9-10,18H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyNJZITRCYXMYFDN-SNVBAGLBSA-N
MW282.31 g/mol
LogP1.10
Rot. Bonds5

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

2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 111334063) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID111334063
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CN1CC[C@@H](O)C1
InChIInChI=1S/C12H21F3N2O2/c1-9(2)5-17(8-12(13,14)15)11(19)7-16-4-3-10(18)6-16/h9-10,18H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyNJZITRCYXMYFDN-SNVBAGLBSA-N
XLogP1.10
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.10
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-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 111334063) is 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)CN(CC(F)(F)F)C(=O)CN1CC[C@@H](O)C1.
What is the InChIKey of 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NJZITRCYXMYFDN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-9(2)5-17(8-12(13,14)15)11(19)7-16-4-3-10(18)6-16/h9-10,18H,3-8H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 282.31 g/mol, XLogP of 1.10, 5 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-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 111334063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).