2,2,2-trifluoro-N-(1-methylpyrrolidin-3-yl)acetamide

C7H11F3N2O — CID 18723029

IUPAC2,2,2-trifluoro-N-(1-methylpyrrolidin-3-yl)acetamide
SMILESCN1CCC(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O/c1-12-3-2-5(4-12)11-6(13)7(8,9)10/h5H,2-4H2,1H3,(H,11,13)
InChIKeyJZOWBUFHQZYEBV-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.37
Rot. Bonds1

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

2,2,2-trifluoro-N-(1-methylpyrrolidin-3-yl)acetamide (PubChem CID 18723029) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-methylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-methylpyrrolidin-3-yl)acetamide
PubChem CID18723029
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name2,2,2-trifluoro-N-(1-methylpyrrolidin-3-yl)acetamide
SMILESCN1CCC(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O/c1-12-3-2-5(4-12)11-6(13)7(8,9)10/h5H,2-4H2,1H3,(H,11,13)
InChIKeyJZOWBUFHQZYEBV-UHFFFAOYSA-N
XLogP0.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.37
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-methylpyrrolidin-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-methylpyrrolidin-3-yl)acetamide (CID 18723029) is 2,2,2-trifluoro-N-(1-methylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-methylpyrrolidin-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-methylpyrrolidin-3-yl)acetamide is CN1CCC(NC(=O)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-N-(1-methylpyrrolidin-3-yl)acetamide?
The InChIKey is JZOWBUFHQZYEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-12-3-2-5(4-12)11-6(13)7(8,9)10/h5H,2-4H2,1H3,(H,11,13).
What are the key properties of 2,2,2-trifluoro-N-(1-methylpyrrolidin-3-yl)acetamide?
2,2,2-trifluoro-N-(1-methylpyrrolidin-3-yl)acetamide has a molecular weight of 196.17 g/mol, XLogP of 0.37, 1 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-methylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 18723029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).