N-(2-amino-2-hydroxyiminoethyl)-4,4,4-trifluorobutanamide

C6H10F3N3O2 — CID 77099652

IUPACN-(2-amino-2-hydroxyiminoethyl)-4,4,4-trifluorobutanamide
SMILESNC(CNC(=O)CCC(F)(F)F)=NO
InChIInChI=1S/C6H10F3N3O2/c7-6(8,9)2-1-5(13)11-3-4(10)12-14/h14H,1-3H2,(H2,10,12)(H,11,13)
InChIKeyUKBOEVQYDBRPQK-UHFFFAOYSA-N
MW213.16 g/mol
LogP0.19
Rot. Bonds4

About N-(2-amino-2-hydroxyiminoethyl)-4,4,4-trifluorobutanamide

N-(2-amino-2-hydroxyiminoethyl)-4,4,4-trifluorobutanamide (PubChem CID 77099652) has the molecular formula C6H10F3N3O2 and a molecular weight of 213.16 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-4,4,4-trifluorobutanamide
PubChem CID77099652
Molecular FormulaC6H10F3N3O2
Molecular Weight213.16 g/mol
Exact Mass213.07
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-4,4,4-trifluorobutanamide
SMILESNC(CNC(=O)CCC(F)(F)F)=NO
InChIInChI=1S/C6H10F3N3O2/c7-6(8,9)2-1-5(13)11-3-4(10)12-14/h14H,1-3H2,(H2,10,12)(H,11,13)
InChIKeyUKBOEVQYDBRPQK-UHFFFAOYSA-N
XLogP0.19
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(2-amino-2-hydroxyiminoethyl)-4,4,4-trifluorobutanamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-4,4,4-trifluorobutanamide (CID 77099652) is N-(2-amino-2-hydroxyiminoethyl)-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-4,4,4-trifluorobutanamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-4,4,4-trifluorobutanamide is NC(CNC(=O)CCC(F)(F)F)=NO.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-4,4,4-trifluorobutanamide?
The InChIKey is UKBOEVQYDBRPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N3O2/c7-6(8,9)2-1-5(13)11-3-4(10)12-14/h14H,1-3H2,(H2,10,12)(H,11,13).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-4,4,4-trifluorobutanamide?
N-(2-amino-2-hydroxyiminoethyl)-4,4,4-trifluorobutanamide has a molecular weight of 213.16 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-4,4,4-trifluorobutanamide is sourced from PubChem (CID 77099652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).