(2Z,4E)-1,1,1-trifluoro-2-N-methyl-8-methyliminoocta-2,4-diene-2,5-diamine

C10H16F3N3 — CID 166651333

IUPAC(2Z,4E)-1,1,1-trifluoro-2-N-methyl-8-methyliminoocta-2,4-diene-2,5-diamine
SMILESC/N=C/CC/C(N)=C\C=C(/NC)C(F)(F)F
InChIInChI=1S/C10H16F3N3/c1-15-7-3-4-8(14)5-6-9(16-2)10(11,12)13/h5-7,16H,3-4,14H2,1-2H3/b8-5+,9-6-,15-7+
InChIKeyGTUCGYDPAJFSGR-FEIQPALDSA-N
MW235.25 g/mol
LogP1.98
Rot. Bonds5

About (2Z,4E)-1,1,1-trifluoro-2-N-methyl-8-methyliminoocta-2,4-diene-2,5-diamine

(2Z,4E)-1,1,1-trifluoro-2-N-methyl-8-methyliminoocta-2,4-diene-2,5-diamine (PubChem CID 166651333) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is (2Z,4E)-1,1,1-trifluoro-2-N-methyl-8-methyliminoocta-2,4-diene-2,5-diamine.

Molecular Properties

Compound Name(2Z,4E)-1,1,1-trifluoro-2-N-methyl-8-methyliminoocta-2,4-diene-2,5-diamine
PubChem CID166651333
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Name(2Z,4E)-1,1,1-trifluoro-2-N-methyl-8-methyliminoocta-2,4-diene-2,5-diamine
SMILESC/N=C/CC/C(N)=C\C=C(/NC)C(F)(F)F
InChIInChI=1S/C10H16F3N3/c1-15-7-3-4-8(14)5-6-9(16-2)10(11,12)13/h5-7,16H,3-4,14H2,1-2H3/b8-5+,9-6-,15-7+
InChIKeyGTUCGYDPAJFSGR-FEIQPALDSA-N
XLogP1.98
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2Z,4E)-1,1,1-trifluoro-2-N-methyl-8-methyliminoocta-2,4-diene-2,5-diamine 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 (2Z,4E)-1,1,1-trifluoro-2-N-methyl-8-methyliminoocta-2,4-diene-2,5-diamine?
The IUPAC name of (2Z,4E)-1,1,1-trifluoro-2-N-methyl-8-methyliminoocta-2,4-diene-2,5-diamine (CID 166651333) is (2Z,4E)-1,1,1-trifluoro-2-N-methyl-8-methyliminoocta-2,4-diene-2,5-diamine.
What is the SMILES notation for (2Z,4E)-1,1,1-trifluoro-2-N-methyl-8-methyliminoocta-2,4-diene-2,5-diamine?
The canonical SMILES for (2Z,4E)-1,1,1-trifluoro-2-N-methyl-8-methyliminoocta-2,4-diene-2,5-diamine is C/N=C/CC/C(N)=C\C=C(/NC)C(F)(F)F.
What is the InChIKey of (2Z,4E)-1,1,1-trifluoro-2-N-methyl-8-methyliminoocta-2,4-diene-2,5-diamine?
The InChIKey is GTUCGYDPAJFSGR-FEIQPALDSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-15-7-3-4-8(14)5-6-9(16-2)10(11,12)13/h5-7,16H,3-4,14H2,1-2H3/b8-5+,9-6-,15-7+.
What are the key properties of (2Z,4E)-1,1,1-trifluoro-2-N-methyl-8-methyliminoocta-2,4-diene-2,5-diamine?
(2Z,4E)-1,1,1-trifluoro-2-N-methyl-8-methyliminoocta-2,4-diene-2,5-diamine has a molecular weight of 235.25 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-1,1,1-trifluoro-2-N-methyl-8-methyliminoocta-2,4-diene-2,5-diamine is sourced from PubChem (CID 166651333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).