N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C7H12F3N3O3 — CID 103211492

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(NC(=O)COCC(F)(F)F)C(N)=NO
InChIInChI=1S/C7H12F3N3O3/c1-4(6(11)13-15)12-5(14)2-16-3-7(8,9)10/h4,15H,2-3H2,1H3,(H2,11,13)(H,12,14)
InChIKeyAAPUTVJRLCLOSA-UHFFFAOYSA-N
MW243.18 g/mol
LogP-0.18
Rot. Bonds5

About N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103211492) has the molecular formula C7H12F3N3O3 and a molecular weight of 243.18 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103211492
Molecular FormulaC7H12F3N3O3
Molecular Weight243.18 g/mol
Exact Mass243.08
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(NC(=O)COCC(F)(F)F)C(N)=NO
InChIInChI=1S/C7H12F3N3O3/c1-4(6(11)13-15)12-5(14)2-16-3-7(8,9)10/h4,15H,2-3H2,1H3,(H2,11,13)(H,12,14)
InChIKeyAAPUTVJRLCLOSA-UHFFFAOYSA-N
XLogP-0.18
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103211492) is N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is CC(NC(=O)COCC(F)(F)F)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is AAPUTVJRLCLOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O3/c1-4(6(11)13-15)12-5(14)2-16-3-7(8,9)10/h4,15H,2-3H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 243.18 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103211492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).