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

C12H21F3N2O2 — CID 47031340

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCCN1CCCC1CNC(=O)C(C)OCC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-3-17-6-4-5-10(17)7-16-11(18)9(2)19-8-12(13,14)15/h9-10H,3-8H2,1-2H3,(H,16,18)
InChIKeyBKVUZJAFJHLQCK-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.55
Rot. Bonds6

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 47031340) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID47031340
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCCN1CCCC1CNC(=O)C(C)OCC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-3-17-6-4-5-10(17)7-16-11(18)9(2)19-8-12(13,14)15/h9-10H,3-8H2,1-2H3,(H,16,18)
InChIKeyBKVUZJAFJHLQCK-UHFFFAOYSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.55
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)propanamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 47031340) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide is CCN1CCCC1CNC(=O)C(C)OCC(F)(F)F.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is BKVUZJAFJHLQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-3-17-6-4-5-10(17)7-16-11(18)9(2)19-8-12(13,14)15/h9-10H,3-8H2,1-2H3,(H,16,18).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 282.31 g/mol, XLogP of 1.55, 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)propanamide is sourced from PubChem (CID 47031340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).