2,2,2-trifluoro-N-hydroxy-N-propylacetamide

C5H8F3NO2 — CID 130901450

IUPAC2,2,2-trifluoro-N-hydroxy-N-propylacetamide
SMILESCCCN(O)C(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-2-3-9(11)4(10)5(6,7)8/h11H,2-3H2,1H3
InChIKeyQGPSBFJMEAUOMA-UHFFFAOYSA-N
MW171.12 g/mol
LogP1.18
Rot. Bonds2

About 2,2,2-trifluoro-N-hydroxy-N-propylacetamide

2,2,2-trifluoro-N-hydroxy-N-propylacetamide (PubChem CID 130901450) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-hydroxy-N-propylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-hydroxy-N-propylacetamide
PubChem CID130901450
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name2,2,2-trifluoro-N-hydroxy-N-propylacetamide
SMILESCCCN(O)C(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-2-3-9(11)4(10)5(6,7)8/h11H,2-3H2,1H3
InChIKeyQGPSBFJMEAUOMA-UHFFFAOYSA-N
XLogP1.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-hydroxy-N-propylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-hydroxy-N-propylacetamide (CID 130901450) is 2,2,2-trifluoro-N-hydroxy-N-propylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-hydroxy-N-propylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-hydroxy-N-propylacetamide is CCCN(O)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-hydroxy-N-propylacetamide?
The InChIKey is QGPSBFJMEAUOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-2-3-9(11)4(10)5(6,7)8/h11H,2-3H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-hydroxy-N-propylacetamide?
2,2,2-trifluoro-N-hydroxy-N-propylacetamide has a molecular weight of 171.12 g/mol, XLogP of 1.18, 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-hydroxy-N-propylacetamide is sourced from PubChem (CID 130901450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).