N-ethyl-4,4,4-trifluoro-3-methyliminobutanamide

C7H11F3N2O — CID 142863857

IUPACN-ethyl-4,4,4-trifluoro-3-methyliminobutanamide
SMILESCCNC(=O)C/C(=N\C)C(F)(F)F
InChIInChI=1S/C7H11F3N2O/c1-3-12-6(13)4-5(11-2)7(8,9)10/h3-4H2,1-2H3,(H,12,13)/b11-5+
InChIKeyJHMPLZLYGXHREZ-VZUCSPMQSA-N
MW196.17 g/mol
LogP1.15
Rot. Bonds3

About N-ethyl-4,4,4-trifluoro-3-methyliminobutanamide

N-ethyl-4,4,4-trifluoro-3-methyliminobutanamide (PubChem CID 142863857) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-3-methyliminobutanamide.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-3-methyliminobutanamide
PubChem CID142863857
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC NameN-ethyl-4,4,4-trifluoro-3-methyliminobutanamide
SMILESCCNC(=O)C/C(=N\C)C(F)(F)F
InChIInChI=1S/C7H11F3N2O/c1-3-12-6(13)4-5(11-2)7(8,9)10/h3-4H2,1-2H3,(H,12,13)/b11-5+
InChIKeyJHMPLZLYGXHREZ-VZUCSPMQSA-N
XLogP1.15
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-3-methyliminobutanamide?
The IUPAC name of N-ethyl-4,4,4-trifluoro-3-methyliminobutanamide (CID 142863857) is N-ethyl-4,4,4-trifluoro-3-methyliminobutanamide.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-3-methyliminobutanamide?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-3-methyliminobutanamide is CCNC(=O)C/C(=N\C)C(F)(F)F.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-3-methyliminobutanamide?
The InChIKey is JHMPLZLYGXHREZ-VZUCSPMQSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-3-12-6(13)4-5(11-2)7(8,9)10/h3-4H2,1-2H3,(H,12,13)/b11-5+.
What are the key properties of N-ethyl-4,4,4-trifluoro-3-methyliminobutanamide?
N-ethyl-4,4,4-trifluoro-3-methyliminobutanamide has a molecular weight of 196.17 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-3-methyliminobutanamide is sourced from PubChem (CID 142863857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).