2-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboxamide

C11H19F3N2O3 — CID 111427912

IUPAC2-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCCOCC(F)(F)F)N1CCCC1CO
InChIInChI=1S/C11H19F3N2O3/c12-11(13,14)8-19-6-2-4-15-10(18)16-5-1-3-9(16)7-17/h9,17H,1-8H2,(H,15,18)
InChIKeyPXDSGXLJNWSHMG-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.12
Rot. Bonds6

About 2-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboxamide

2-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboxamide (PubChem CID 111427912) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboxamide
PubChem CID111427912
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCCOCC(F)(F)F)N1CCCC1CO
InChIInChI=1S/C11H19F3N2O3/c12-11(13,14)8-19-6-2-4-15-10(18)16-5-1-3-9(16)7-17/h9,17H,1-8H2,(H,15,18)
InChIKeyPXDSGXLJNWSHMG-UHFFFAOYSA-N
XLogP1.12
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboxamide (CID 111427912) is 2-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboxamide is O=C(NCCCOCC(F)(F)F)N1CCCC1CO.
What is the InChIKey of 2-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboxamide?
The InChIKey is PXDSGXLJNWSHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c12-11(13,14)8-19-6-2-4-15-10(18)16-5-1-3-9(16)7-17/h9,17H,1-8H2,(H,15,18).
What are the key properties of 2-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboxamide?
2-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboxamide has a molecular weight of 284.28 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111427912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).