N-(1-pyrrolidin-3-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide

C10H17F3N2O2 — CID 103206380

IUPACN-(1-pyrrolidin-3-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(NC(=O)COCC(F)(F)F)C1CCNC1
InChIInChI=1S/C10H17F3N2O2/c1-7(8-2-3-14-4-8)15-9(16)5-17-6-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,15,16)
InChIKeyICMWOAVFLYWEHW-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.68
Rot. Bonds5

About N-(1-pyrrolidin-3-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(1-pyrrolidin-3-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103206380) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-(1-pyrrolidin-3-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(1-pyrrolidin-3-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103206380
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-(1-pyrrolidin-3-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(NC(=O)COCC(F)(F)F)C1CCNC1
InChIInChI=1S/C10H17F3N2O2/c1-7(8-2-3-14-4-8)15-9(16)5-17-6-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,15,16)
InChIKeyICMWOAVFLYWEHW-UHFFFAOYSA-N
XLogP0.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyrrolidin-3-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(1-pyrrolidin-3-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103206380) is N-(1-pyrrolidin-3-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(1-pyrrolidin-3-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(1-pyrrolidin-3-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide is CC(NC(=O)COCC(F)(F)F)C1CCNC1.
What is the InChIKey of N-(1-pyrrolidin-3-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is ICMWOAVFLYWEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-7(8-2-3-14-4-8)15-9(16)5-17-6-10(11,12)13/h7-8,14H,2-6H2,1H3,(H,15,16).
What are the key properties of N-(1-pyrrolidin-3-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(1-pyrrolidin-3-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 254.25 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrrolidin-3-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103206380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).