2,2,2-trifluoro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide

C9H15F3N2O — CID 21355311

IUPAC2,2,2-trifluoro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide
SMILESCC(C)N1CCC(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O/c1-6(2)14-4-3-7(5-14)13-8(15)9(10,11)12/h6-7H,3-5H2,1-2H3,(H,13,15)
InChIKeyNPVZXBAJIVOKIP-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.15
Rot. Bonds2

About 2,2,2-trifluoro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide

2,2,2-trifluoro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide (PubChem CID 21355311) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide
PubChem CID21355311
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name2,2,2-trifluoro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide
SMILESCC(C)N1CCC(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O/c1-6(2)14-4-3-7(5-14)13-8(15)9(10,11)12/h6-7H,3-5H2,1-2H3,(H,13,15)
InChIKeyNPVZXBAJIVOKIP-UHFFFAOYSA-N
XLogP1.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide (CID 21355311) is 2,2,2-trifluoro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide is CC(C)N1CCC(NC(=O)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide?
The InChIKey is NPVZXBAJIVOKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-6(2)14-4-3-7(5-14)13-8(15)9(10,11)12/h6-7H,3-5H2,1-2H3,(H,13,15).
What are the key properties of 2,2,2-trifluoro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide?
2,2,2-trifluoro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide has a molecular weight of 224.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 21355311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).