2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C9H15F3N2O2 — CID 62046722

IUPAC2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCC[C@@H]1CO)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-13-8(16)4-14-3-1-2-7(14)5-15/h7,15H,1-6H2,(H,13,16)/t7-/m1/s1
InChIKeyMFQWPMAIULHQDO-SSDOTTSWSA-N
MW240.22 g/mol
LogP0.12
Rot. Bonds4

About 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 62046722) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID62046722
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCC[C@@H]1CO)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-13-8(16)4-14-3-1-2-7(14)5-15/h7,15H,1-6H2,(H,13,16)/t7-/m1/s1
InChIKeyMFQWPMAIULHQDO-SSDOTTSWSA-N
XLogP0.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 62046722) is 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1CCC[C@@H]1CO)NCC(F)(F)F.
What is the InChIKey of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MFQWPMAIULHQDO-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)6-13-8(16)4-14-3-1-2-7(14)5-15/h7,15H,1-6H2,(H,13,16)/t7-/m1/s1.
What are the key properties of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 240.22 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 62046722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).