(4-amino-1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)-methylazanium

C6H10F3N2+ — CID 159065806

IUPAC(4-amino-1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)-methylazanium
SMILESC/[NH+]=C(\C(C)=CN)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-4(3-10)5(11-2)6(7,8)9/h3H,10H2,1-2H3/p+1/b4-3?,11-5+
InChIKeyRZQTWRYQLQKWOI-PLKYTOJASA-O
MW167.15 g/mol
LogP-0.44
Rot. Bonds1

About (4-amino-1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)-methylazanium

(4-amino-1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)-methylazanium (PubChem CID 159065806) has the molecular formula C6H10F3N2+ and a molecular weight of 167.15 g/mol. Its IUPAC name is (4-amino-1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)-methylazanium.

Molecular Properties

Compound Name(4-amino-1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)-methylazanium
PubChem CID159065806
Molecular FormulaC6H10F3N2+
Molecular Weight167.15 g/mol
Exact Mass167.08
IUPAC Name(4-amino-1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)-methylazanium
SMILESC/[NH+]=C(\C(C)=CN)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-4(3-10)5(11-2)6(7,8)9/h3H,10H2,1-2H3/p+1/b4-3?,11-5+
InChIKeyRZQTWRYQLQKWOI-PLKYTOJASA-O
XLogP-0.44
TPSA39.99 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4-amino-1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)-methylazanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-amino-1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)-methylazanium?
The IUPAC name of (4-amino-1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)-methylazanium (CID 159065806) is (4-amino-1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)-methylazanium.
What is the SMILES notation for (4-amino-1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)-methylazanium?
The canonical SMILES for (4-amino-1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)-methylazanium is C/[NH+]=C(\C(C)=CN)C(F)(F)F.
What is the InChIKey of (4-amino-1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)-methylazanium?
The InChIKey is RZQTWRYQLQKWOI-PLKYTOJASA-O. The full InChI is InChI=1S/C6H9F3N2/c1-4(3-10)5(11-2)6(7,8)9/h3H,10H2,1-2H3/p+1/b4-3?,11-5+.
What are the key properties of (4-amino-1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)-methylazanium?
(4-amino-1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)-methylazanium has a molecular weight of 167.15 g/mol, XLogP of -0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,1,1-trifluoro-3-methylbut-3-en-2-ylidene)-methylazanium is sourced from PubChem (CID 159065806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).