N-(4-amino-4-hydroxyiminobutyl)-2-(2,2,2-trifluoroethoxy)acetamide

C8H14F3N3O3 — CID 103211575

IUPACN-(4-amino-4-hydroxyiminobutyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNC(CCCNC(=O)COCC(F)(F)F)=NO
InChIInChI=1S/C8H14F3N3O3/c9-8(10,11)5-17-4-7(15)13-3-1-2-6(12)14-16/h16H,1-5H2,(H2,12,14)(H,13,15)
InChIKeyOHODCFOPQZOGEC-UHFFFAOYSA-N
MW257.21 g/mol
LogP0.21
Rot. Bonds7

About N-(4-amino-4-hydroxyiminobutyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(4-amino-4-hydroxyiminobutyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103211575) has the molecular formula C8H14F3N3O3 and a molecular weight of 257.21 g/mol. Its IUPAC name is N-(4-amino-4-hydroxyiminobutyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(4-amino-4-hydroxyiminobutyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103211575
Molecular FormulaC8H14F3N3O3
Molecular Weight257.21 g/mol
Exact Mass257.10
IUPAC NameN-(4-amino-4-hydroxyiminobutyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNC(CCCNC(=O)COCC(F)(F)F)=NO
InChIInChI=1S/C8H14F3N3O3/c9-8(10,11)5-17-4-7(15)13-3-1-2-6(12)14-16/h16H,1-5H2,(H2,12,14)(H,13,15)
InChIKeyOHODCFOPQZOGEC-UHFFFAOYSA-N
XLogP0.21
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(4-amino-4-hydroxyiminobutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(4-amino-4-hydroxyiminobutyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103211575) is N-(4-amino-4-hydroxyiminobutyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(4-amino-4-hydroxyiminobutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(4-amino-4-hydroxyiminobutyl)-2-(2,2,2-trifluoroethoxy)acetamide is NC(CCCNC(=O)COCC(F)(F)F)=NO.
What is the InChIKey of N-(4-amino-4-hydroxyiminobutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is OHODCFOPQZOGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O3/c9-8(10,11)5-17-4-7(15)13-3-1-2-6(12)14-16/h16H,1-5H2,(H2,12,14)(H,13,15).
What are the key properties of N-(4-amino-4-hydroxyiminobutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(4-amino-4-hydroxyiminobutyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 257.21 g/mol, XLogP of 0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-hydroxyiminobutyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103211575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).