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

C8H14F3N3O2 — CID 76912638

IUPAC3-amino-3-hydroxyimino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCN(CC(F)(F)F)C(=O)CC(N)=NO
InChIInChI=1S/C8H14F3N3O2/c1-2-3-14(5-8(9,10)11)7(15)4-6(12)13-16/h16H,2-5H2,1H3,(H2,12,13)
InChIKeyOSJKJFZIULEGOI-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.92
Rot. Bonds5

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

3-amino-3-hydroxyimino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 76912638) has the molecular formula C8H14F3N3O2 and a molecular weight of 241.21 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID76912638
Molecular FormulaC8H14F3N3O2
Molecular Weight241.21 g/mol
Exact Mass241.10
IUPAC Name3-amino-3-hydroxyimino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCN(CC(F)(F)F)C(=O)CC(N)=NO
InChIInChI=1S/C8H14F3N3O2/c1-2-3-14(5-8(9,10)11)7(15)4-6(12)13-16/h16H,2-5H2,1H3,(H2,12,13)
InChIKeyOSJKJFZIULEGOI-UHFFFAOYSA-N
XLogP0.92
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.92
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-3-hydroxyimino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide (CID 76912638) is 3-amino-3-hydroxyimino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide is CCCN(CC(F)(F)F)C(=O)CC(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is OSJKJFZIULEGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O2/c1-2-3-14(5-8(9,10)11)7(15)4-6(12)13-16/h16H,2-5H2,1H3,(H2,12,13).
What are the key properties of 3-amino-3-hydroxyimino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
3-amino-3-hydroxyimino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 241.21 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 76912638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).