3-amino-N-ethyl-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide

C7H12F3N3O2 — CID 76912627

IUPAC3-amino-N-ethyl-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCN(CC(F)(F)F)C(=O)CC(N)=NO
InChIInChI=1S/C7H12F3N3O2/c1-2-13(4-7(8,9)10)6(14)3-5(11)12-15/h15H,2-4H2,1H3,(H2,11,12)
InChIKeyRILAPVCIXVHQNA-UHFFFAOYSA-N
MW227.19 g/mol
LogP0.53
Rot. Bonds4

About 3-amino-N-ethyl-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide

3-amino-N-ethyl-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 76912627) has the molecular formula C7H12F3N3O2 and a molecular weight of 227.19 g/mol. Its IUPAC name is 3-amino-N-ethyl-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-ethyl-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID76912627
Molecular FormulaC7H12F3N3O2
Molecular Weight227.19 g/mol
Exact Mass227.09
IUPAC Name3-amino-N-ethyl-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCN(CC(F)(F)F)C(=O)CC(N)=NO
InChIInChI=1S/C7H12F3N3O2/c1-2-13(4-7(8,9)10)6(14)3-5(11)12-15/h15H,2-4H2,1H3,(H2,11,12)
InChIKeyRILAPVCIXVHQNA-UHFFFAOYSA-N
XLogP0.53
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 50.53
H-Bond Donors ≤ 52
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 3-amino-N-ethyl-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-amino-N-ethyl-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide (CID 76912627) is 3-amino-N-ethyl-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-amino-N-ethyl-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-amino-N-ethyl-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide is CCN(CC(F)(F)F)C(=O)CC(N)=NO.
What is the InChIKey of 3-amino-N-ethyl-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is RILAPVCIXVHQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O2/c1-2-13(4-7(8,9)10)6(14)3-5(11)12-15/h15H,2-4H2,1H3,(H2,11,12).
What are the key properties of 3-amino-N-ethyl-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide?
3-amino-N-ethyl-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 227.19 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 76912627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).