2,2,2-trifluoro-N-(2-oxo-1-phosphanylpyrrolidin-3-yl)acetamide

C6H8F3N2O2P — CID 20645449

IUPAC2,2,2-trifluoro-N-(2-oxo-1-phosphanylpyrrolidin-3-yl)acetamide
SMILESO=C1C(NC(=O)C(F)(F)F)CCN1P
InChIInChI=1S/C6H8F3N2O2P/c7-6(8,9)5(13)10-3-1-2-11(14)4(3)12/h3H,1-2,14H2,(H,10,13)
InChIKeyMGSPKLVDHSKEEK-UHFFFAOYSA-N
MW228.11 g/mol
LogP0.06
Rot. Bonds1

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

2,2,2-trifluoro-N-(2-oxo-1-phosphanylpyrrolidin-3-yl)acetamide (PubChem CID 20645449) has the molecular formula C6H8F3N2O2P and a molecular weight of 228.11 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-oxo-1-phosphanylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-oxo-1-phosphanylpyrrolidin-3-yl)acetamide
PubChem CID20645449
Molecular FormulaC6H8F3N2O2P
Molecular Weight228.11 g/mol
Exact Mass228.03
IUPAC Name2,2,2-trifluoro-N-(2-oxo-1-phosphanylpyrrolidin-3-yl)acetamide
SMILESO=C1C(NC(=O)C(F)(F)F)CCN1P
InChIInChI=1S/C6H8F3N2O2P/c7-6(8,9)5(13)10-3-1-2-11(14)4(3)12/h3H,1-2,14H2,(H,10,13)
InChIKeyMGSPKLVDHSKEEK-UHFFFAOYSA-N
XLogP0.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.11
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-oxo-1-phosphanylpyrrolidin-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-oxo-1-phosphanylpyrrolidin-3-yl)acetamide (CID 20645449) is 2,2,2-trifluoro-N-(2-oxo-1-phosphanylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-oxo-1-phosphanylpyrrolidin-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-oxo-1-phosphanylpyrrolidin-3-yl)acetamide is O=C1C(NC(=O)C(F)(F)F)CCN1P.
What is the InChIKey of 2,2,2-trifluoro-N-(2-oxo-1-phosphanylpyrrolidin-3-yl)acetamide?
The InChIKey is MGSPKLVDHSKEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N2O2P/c7-6(8,9)5(13)10-3-1-2-11(14)4(3)12/h3H,1-2,14H2,(H,10,13).
What are the key properties of 2,2,2-trifluoro-N-(2-oxo-1-phosphanylpyrrolidin-3-yl)acetamide?
2,2,2-trifluoro-N-(2-oxo-1-phosphanylpyrrolidin-3-yl)acetamide has a molecular weight of 228.11 g/mol, XLogP of 0.06, 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-(2-oxo-1-phosphanylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 20645449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).