N-[(E)-4,4,4-trifluoro-2,3-dimethylbut-2-enylidene]methanimidamide

C7H9F3N2 — CID 142010062

IUPACN-[(E)-4,4,4-trifluoro-2,3-dimethylbut-2-enylidene]methanimidamide
SMILES[H]/N=C/N=C/C(C)=C(\C)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-5(3-12-4-11)6(2)7(8,9)10/h3-4,11H,1-2H3/b6-5+,11-4+,12-3+
InChIKeyUFEUNHWLXHSJNL-HBTQIYPQSA-N
MW178.16 g/mol
LogP2.56
Rot. Bonds2

About N-[(E)-4,4,4-trifluoro-2,3-dimethylbut-2-enylidene]methanimidamide

N-[(E)-4,4,4-trifluoro-2,3-dimethylbut-2-enylidene]methanimidamide (PubChem CID 142010062) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is N-[(E)-4,4,4-trifluoro-2,3-dimethylbut-2-enylidene]methanimidamide.

Molecular Properties

Compound NameN-[(E)-4,4,4-trifluoro-2,3-dimethylbut-2-enylidene]methanimidamide
PubChem CID142010062
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC NameN-[(E)-4,4,4-trifluoro-2,3-dimethylbut-2-enylidene]methanimidamide
SMILES[H]/N=C/N=C/C(C)=C(\C)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-5(3-12-4-11)6(2)7(8,9)10/h3-4,11H,1-2H3/b6-5+,11-4+,12-3+
InChIKeyUFEUNHWLXHSJNL-HBTQIYPQSA-N
XLogP2.56
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[(E)-4,4,4-trifluoro-2,3-dimethylbut-2-enylidene]methanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-(3-methylbut-2-enylidene)ethanimidamide
CID 89170049
N-[2-(trifluoromethyl)prop-2-enylidene]ethanimidamide
CID 123466878
N-(2-fluoro-3-methylbut-2-enylidene)propanimidamide
CID 126687129
1,1,1-Trifluoro-3-methyl-4-methyliminobut-2-en-2-amine
CID 149190192
[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]methanamine
CID 163867806

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4,4,4-trifluoro-2,3-dimethylbut-2-enylidene]methanimidamide?
The IUPAC name of N-[(E)-4,4,4-trifluoro-2,3-dimethylbut-2-enylidene]methanimidamide (CID 142010062) is N-[(E)-4,4,4-trifluoro-2,3-dimethylbut-2-enylidene]methanimidamide.
What is the SMILES notation for N-[(E)-4,4,4-trifluoro-2,3-dimethylbut-2-enylidene]methanimidamide?
The canonical SMILES for N-[(E)-4,4,4-trifluoro-2,3-dimethylbut-2-enylidene]methanimidamide is [H]/N=C/N=C/C(C)=C(\C)C(F)(F)F.
What is the InChIKey of N-[(E)-4,4,4-trifluoro-2,3-dimethylbut-2-enylidene]methanimidamide?
The InChIKey is UFEUNHWLXHSJNL-HBTQIYPQSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-5(3-12-4-11)6(2)7(8,9)10/h3-4,11H,1-2H3/b6-5+,11-4+,12-3+.
What are the key properties of N-[(E)-4,4,4-trifluoro-2,3-dimethylbut-2-enylidene]methanimidamide?
N-[(E)-4,4,4-trifluoro-2,3-dimethylbut-2-enylidene]methanimidamide has a molecular weight of 178.16 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4,4,4-trifluoro-2,3-dimethylbut-2-enylidene]methanimidamide is sourced from PubChem (CID 142010062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).