2-(hydroxymethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C9H15F3N2O2 — CID 102778493

IUPAC2-(hydroxymethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCC1CCN(C(=O)NCC(F)(F)F)C1CO
InChIInChI=1S/C9H15F3N2O2/c1-6-2-3-14(7(6)4-15)8(16)13-5-9(10,11)12/h6-7,15H,2-5H2,1H3,(H,13,16)
InChIKeyDVIKPTGXODHCDH-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.96
Rot. Bonds2

About 2-(hydroxymethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

2-(hydroxymethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 102778493) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID102778493
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-(hydroxymethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCC1CCN(C(=O)NCC(F)(F)F)C1CO
InChIInChI=1S/C9H15F3N2O2/c1-6-2-3-14(7(6)4-15)8(16)13-5-9(10,11)12/h6-7,15H,2-5H2,1H3,(H,13,16)
InChIKeyDVIKPTGXODHCDH-UHFFFAOYSA-N
XLogP0.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 102778493) is 2-(hydroxymethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is CC1CCN(C(=O)NCC(F)(F)F)C1CO.
What is the InChIKey of 2-(hydroxymethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is DVIKPTGXODHCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-6-2-3-14(7(6)4-15)8(16)13-5-9(10,11)12/h6-7,15H,2-5H2,1H3,(H,13,16).
What are the key properties of 2-(hydroxymethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
2-(hydroxymethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 102778493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).