N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide

C11H19F3N2O2 — CID 47035633

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCN1CCCC1CNC(=O)COCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-2-16-5-3-4-9(16)6-15-10(17)7-18-8-11(12,13)14/h9H,2-8H2,1H3,(H,15,17)
InChIKeyFOSPZZCJLCDSLE-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.17
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 47035633) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID47035633
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCN1CCCC1CNC(=O)COCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-2-16-5-3-4-9(16)6-15-10(17)7-18-8-11(12,13)14/h9H,2-8H2,1H3,(H,15,17)
InChIKeyFOSPZZCJLCDSLE-UHFFFAOYSA-N
XLogP1.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 47035633) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is CCN1CCCC1CNC(=O)COCC(F)(F)F.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is FOSPZZCJLCDSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-2-16-5-3-4-9(16)6-15-10(17)7-18-8-11(12,13)14/h9H,2-8H2,1H3,(H,15,17).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 268.28 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 47035633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).