N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3,3-trifluoropropanamide

C9H16F3N3O2 — CID 54987980

IUPACN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3,3-trifluoropropanamide
SMILESCCN(CC(C)/C(N)=N/O)C(=O)CC(F)(F)F
InChIInChI=1S/C9H16F3N3O2/c1-3-15(5-6(2)8(13)14-17)7(16)4-9(10,11)12/h6,17H,3-5H2,1-2H3,(H2,13,14)
InChIKeyLGUQUQWSWSLOHK-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.17
Rot. Bonds5

About N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3,3-trifluoropropanamide

N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3,3-trifluoropropanamide (PubChem CID 54987980) has the molecular formula C9H16F3N3O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3,3-trifluoropropanamide
PubChem CID54987980
Molecular FormulaC9H16F3N3O2
Molecular Weight255.24 g/mol
Exact Mass255.12
IUPAC NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3,3-trifluoropropanamide
SMILESCCN(CC(C)/C(N)=N/O)C(=O)CC(F)(F)F
InChIInChI=1S/C9H16F3N3O2/c1-3-15(5-6(2)8(13)14-17)7(16)4-9(10,11)12/h6,17H,3-5H2,1-2H3,(H2,13,14)
InChIKeyLGUQUQWSWSLOHK-UHFFFAOYSA-N
XLogP1.17
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.17
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 N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3,3-trifluoropropanamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3,3-trifluoropropanamide (CID 54987980) is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3,3-trifluoropropanamide is CCN(CC(C)/C(N)=N/O)C(=O)CC(F)(F)F.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3,3-trifluoropropanamide?
The InChIKey is LGUQUQWSWSLOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O2/c1-3-15(5-6(2)8(13)14-17)7(16)4-9(10,11)12/h6,17H,3-5H2,1-2H3,(H2,13,14).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3,3-trifluoropropanamide?
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3,3-trifluoropropanamide has a molecular weight of 255.24 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3,3-trifluoropropanamide is sourced from PubChem (CID 54987980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).