(Z)-6,6,6-trifluoro-5-iminohex-3-en-3-amine

C6H9F3N2 — CID 138655022

IUPAC(Z)-6,6,6-trifluoro-5-iminohex-3-en-3-amine
SMILES[H]/N=C(\C=C(/N)CC)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-2-4(10)3-5(11)6(7,8)9/h3,11H,2,10H2,1H3/b4-3-,11-5+
InChIKeyPSZVNMUNBNWOMJ-LDTZZKCISA-N
MW166.15 g/mol
LogP1.82
Rot. Bonds2

About (Z)-6,6,6-trifluoro-5-iminohex-3-en-3-amine

(Z)-6,6,6-trifluoro-5-iminohex-3-en-3-amine (PubChem CID 138655022) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is (Z)-6,6,6-trifluoro-5-iminohex-3-en-3-amine.

Molecular Properties

Compound Name(Z)-6,6,6-trifluoro-5-iminohex-3-en-3-amine
PubChem CID138655022
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name(Z)-6,6,6-trifluoro-5-iminohex-3-en-3-amine
SMILES[H]/N=C(\C=C(/N)CC)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-2-4(10)3-5(11)6(7,8)9/h3,11H,2,10H2,1H3/b4-3-,11-5+
InChIKeyPSZVNMUNBNWOMJ-LDTZZKCISA-N
XLogP1.82
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-6,6,6-trifluoro-5-iminohex-3-en-3-amine 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 (Z)-6,6,6-trifluoro-5-iminohex-3-en-3-amine?
The IUPAC name of (Z)-6,6,6-trifluoro-5-iminohex-3-en-3-amine (CID 138655022) is (Z)-6,6,6-trifluoro-5-iminohex-3-en-3-amine.
What is the SMILES notation for (Z)-6,6,6-trifluoro-5-iminohex-3-en-3-amine?
The canonical SMILES for (Z)-6,6,6-trifluoro-5-iminohex-3-en-3-amine is [H]/N=C(\C=C(/N)CC)C(F)(F)F.
What is the InChIKey of (Z)-6,6,6-trifluoro-5-iminohex-3-en-3-amine?
The InChIKey is PSZVNMUNBNWOMJ-LDTZZKCISA-N. The full InChI is InChI=1S/C6H9F3N2/c1-2-4(10)3-5(11)6(7,8)9/h3,11H,2,10H2,1H3/b4-3-,11-5+.
What are the key properties of (Z)-6,6,6-trifluoro-5-iminohex-3-en-3-amine?
(Z)-6,6,6-trifluoro-5-iminohex-3-en-3-amine has a molecular weight of 166.15 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6,6,6-trifluoro-5-iminohex-3-en-3-amine is sourced from PubChem (CID 138655022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).