N-prop-2-ynyl-2-(2,2,2-trifluoroethoxyamino)propanamide

C8H11F3N2O2 — CID 82721631

IUPACN-prop-2-ynyl-2-(2,2,2-trifluoroethoxyamino)propanamide
SMILESC#CCNC(=O)C(C)NOCC(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c1-3-4-12-7(14)6(2)13-15-5-8(9,10)11/h1,6,13H,4-5H2,2H3,(H,12,14)
InChIKeyJEXLPCIVLKSJSC-UHFFFAOYSA-N
MW224.18 g/mol
LogP0.21
Rot. Bonds5

About N-prop-2-ynyl-2-(2,2,2-trifluoroethoxyamino)propanamide

N-prop-2-ynyl-2-(2,2,2-trifluoroethoxyamino)propanamide (PubChem CID 82721631) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is N-prop-2-ynyl-2-(2,2,2-trifluoroethoxyamino)propanamide.

Molecular Properties

Compound NameN-prop-2-ynyl-2-(2,2,2-trifluoroethoxyamino)propanamide
PubChem CID82721631
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC NameN-prop-2-ynyl-2-(2,2,2-trifluoroethoxyamino)propanamide
SMILESC#CCNC(=O)C(C)NOCC(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c1-3-4-12-7(14)6(2)13-15-5-8(9,10)11/h1,6,13H,4-5H2,2H3,(H,12,14)
InChIKeyJEXLPCIVLKSJSC-UHFFFAOYSA-N
XLogP0.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-2-(2,2,2-trifluoroethoxyamino)propanamide?
The IUPAC name of N-prop-2-ynyl-2-(2,2,2-trifluoroethoxyamino)propanamide (CID 82721631) is N-prop-2-ynyl-2-(2,2,2-trifluoroethoxyamino)propanamide.
What is the SMILES notation for N-prop-2-ynyl-2-(2,2,2-trifluoroethoxyamino)propanamide?
The canonical SMILES for N-prop-2-ynyl-2-(2,2,2-trifluoroethoxyamino)propanamide is C#CCNC(=O)C(C)NOCC(F)(F)F.
What is the InChIKey of N-prop-2-ynyl-2-(2,2,2-trifluoroethoxyamino)propanamide?
The InChIKey is JEXLPCIVLKSJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c1-3-4-12-7(14)6(2)13-15-5-8(9,10)11/h1,6,13H,4-5H2,2H3,(H,12,14).
What are the key properties of N-prop-2-ynyl-2-(2,2,2-trifluoroethoxyamino)propanamide?
N-prop-2-ynyl-2-(2,2,2-trifluoroethoxyamino)propanamide has a molecular weight of 224.18 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-2-(2,2,2-trifluoroethoxyamino)propanamide is sourced from PubChem (CID 82721631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).