N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C9H16F3N3O3 — CID 103211584

IUPACN-(1-amino-1-hydroxyiminopentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCC(CC(N)=NO)NC(=O)COCC(F)(F)F
InChIInChI=1S/C9H16F3N3O3/c1-2-6(3-7(13)15-17)14-8(16)4-18-5-9(10,11)12/h6,17H,2-5H2,1H3,(H2,13,15)(H,14,16)
InChIKeyDTFMVTGCCXKNPJ-UHFFFAOYSA-N
MW271.24 g/mol
LogP0.60
Rot. Bonds7

About N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103211584) has the molecular formula C9H16F3N3O3 and a molecular weight of 271.24 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103211584
Molecular FormulaC9H16F3N3O3
Molecular Weight271.24 g/mol
Exact Mass271.11
IUPAC NameN-(1-amino-1-hydroxyiminopentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCC(CC(N)=NO)NC(=O)COCC(F)(F)F
InChIInChI=1S/C9H16F3N3O3/c1-2-6(3-7(13)15-17)14-8(16)4-18-5-9(10,11)12/h6,17H,2-5H2,1H3,(H2,13,15)(H,14,16)
InChIKeyDTFMVTGCCXKNPJ-UHFFFAOYSA-N
XLogP0.60
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 50.60
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-hydroxyiminopentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103211584) is N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide is CCC(CC(N)=NO)NC(=O)COCC(F)(F)F.
What is the InChIKey of N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is DTFMVTGCCXKNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O3/c1-2-6(3-7(13)15-17)14-8(16)4-18-5-9(10,11)12/h6,17H,2-5H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 271.24 g/mol, XLogP of 0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103211584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).