1-propan-2-ylpyrrolidine;N-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl]acetamide

C14H24F6N2O2 — CID 162750420

IUPAC1-propan-2-ylpyrrolidine;N-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl]acetamide
SMILESCC(=O)NCCC(O)(C(F)(F)F)C(F)(F)F.CC(C)N1CCCC1
InChIInChI=1S/C7H9F6NO2.C7H15N/c1-4(15)14-3-2-5(16,6(8,9)10)7(11,12)13;1-7(2)8-5-3-4-6-8/h16H,2-3H2,1H3,(H,14,15);7H,3-6H2,1-2H3
InChIKeyJURNNAXPYSCRIO-UHFFFAOYSA-N
MW366.35 g/mol
LogP2.86
Rot. Bonds4

About 1-propan-2-ylpyrrolidine;N-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl]acetamide

1-propan-2-ylpyrrolidine;N-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl]acetamide (PubChem CID 162750420) has the molecular formula C14H24F6N2O2 and a molecular weight of 366.35 g/mol. Its IUPAC name is 1-propan-2-ylpyrrolidine;N-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl]acetamide.

Molecular Properties

Compound Name1-propan-2-ylpyrrolidine;N-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl]acetamide
PubChem CID162750420
Molecular FormulaC14H24F6N2O2
Molecular Weight366.35 g/mol
Exact Mass366.17
IUPAC Name1-propan-2-ylpyrrolidine;N-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl]acetamide
SMILESCC(=O)NCCC(O)(C(F)(F)F)C(F)(F)F.CC(C)N1CCCC1
InChIInChI=1S/C7H9F6NO2.C7H15N/c1-4(15)14-3-2-5(16,6(8,9)10)7(11,12)13;1-7(2)8-5-3-4-6-8/h16H,2-3H2,1H3,(H,14,15);7H,3-6H2,1-2H3
InChIKeyJURNNAXPYSCRIO-UHFFFAOYSA-N
XLogP2.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-propan-2-ylpyrrolidine;N-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpyrrolidine;N-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl]acetamide?
The IUPAC name of 1-propan-2-ylpyrrolidine;N-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl]acetamide (CID 162750420) is 1-propan-2-ylpyrrolidine;N-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl]acetamide.
What is the SMILES notation for 1-propan-2-ylpyrrolidine;N-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl]acetamide?
The canonical SMILES for 1-propan-2-ylpyrrolidine;N-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl]acetamide is CC(=O)NCCC(O)(C(F)(F)F)C(F)(F)F.CC(C)N1CCCC1.
What is the InChIKey of 1-propan-2-ylpyrrolidine;N-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl]acetamide?
The InChIKey is JURNNAXPYSCRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F6NO2.C7H15N/c1-4(15)14-3-2-5(16,6(8,9)10)7(11,12)13;1-7(2)8-5-3-4-6-8/h16H,2-3H2,1H3,(H,14,15);7H,3-6H2,1-2H3.
What are the key properties of 1-propan-2-ylpyrrolidine;N-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl]acetamide?
1-propan-2-ylpyrrolidine;N-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl]acetamide has a molecular weight of 366.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpyrrolidine;N-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl]acetamide is sourced from PubChem (CID 162750420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).