N-ethyl-N-[(4-ethylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide

C11H19F3N2O — CID 56990953

IUPACN-ethyl-N-[(4-ethylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCCC1CNCC1CN(CC)C(=O)C(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-3-8-5-15-6-9(8)7-16(4-2)10(17)11(12,13)14/h8-9,15H,3-7H2,1-2H3
InChIKeyCWHXOYFGPAAXDH-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.64
Rot. Bonds4

About N-ethyl-N-[(4-ethylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide

N-ethyl-N-[(4-ethylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 56990953) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-ethyl-N-[(4-ethylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-ethyl-N-[(4-ethylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide
PubChem CID56990953
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC NameN-ethyl-N-[(4-ethylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCCC1CNCC1CN(CC)C(=O)C(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-3-8-5-15-6-9(8)7-16(4-2)10(17)11(12,13)14/h8-9,15H,3-7H2,1-2H3
InChIKeyCWHXOYFGPAAXDH-UHFFFAOYSA-N
XLogP1.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 57115956
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CID 57584432
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-ethylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-ethyl-N-[(4-ethylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide (CID 56990953) is N-ethyl-N-[(4-ethylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-ethyl-N-[(4-ethylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-ethyl-N-[(4-ethylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide is CCC1CNCC1CN(CC)C(=O)C(F)(F)F.
What is the InChIKey of N-ethyl-N-[(4-ethylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is CWHXOYFGPAAXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-3-8-5-15-6-9(8)7-16(4-2)10(17)11(12,13)14/h8-9,15H,3-7H2,1-2H3.
What are the key properties of N-ethyl-N-[(4-ethylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide?
N-ethyl-N-[(4-ethylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 252.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-ethylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 56990953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).