(3Z)-1,1,1-trifluoro-N,6-dimethylhepta-3,6-dien-2-imine

C9H12F3N — CID 142448631

IUPAC(3Z)-1,1,1-trifluoro-N,6-dimethylhepta-3,6-dien-2-imine
SMILESC=C(C)C/C=C\C(=N/C)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-7(2)5-4-6-8(13-3)9(10,11)12/h4,6H,1,5H2,2-3H3/b6-4-,13-8+
InChIKeyAJGODGQACSHAQE-RUMQPUKBSA-N
MW191.20 g/mol
LogP3.14
Rot. Bonds3

About (3Z)-1,1,1-trifluoro-N,6-dimethylhepta-3,6-dien-2-imine

(3Z)-1,1,1-trifluoro-N,6-dimethylhepta-3,6-dien-2-imine (PubChem CID 142448631) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is (3Z)-1,1,1-trifluoro-N,6-dimethylhepta-3,6-dien-2-imine.

Molecular Properties

Compound Name(3Z)-1,1,1-trifluoro-N,6-dimethylhepta-3,6-dien-2-imine
PubChem CID142448631
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name(3Z)-1,1,1-trifluoro-N,6-dimethylhepta-3,6-dien-2-imine
SMILESC=C(C)C/C=C\C(=N/C)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-7(2)5-4-6-8(13-3)9(10,11)12/h4,6H,1,5H2,2-3H3/b6-4-,13-8+
InChIKeyAJGODGQACSHAQE-RUMQPUKBSA-N
XLogP3.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-1,1,1-trifluoro-N,6-dimethylhepta-3,6-dien-2-imine 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 (3Z)-1,1,1-trifluoro-N,6-dimethylhepta-3,6-dien-2-imine?
The IUPAC name of (3Z)-1,1,1-trifluoro-N,6-dimethylhepta-3,6-dien-2-imine (CID 142448631) is (3Z)-1,1,1-trifluoro-N,6-dimethylhepta-3,6-dien-2-imine.
What is the SMILES notation for (3Z)-1,1,1-trifluoro-N,6-dimethylhepta-3,6-dien-2-imine?
The canonical SMILES for (3Z)-1,1,1-trifluoro-N,6-dimethylhepta-3,6-dien-2-imine is C=C(C)C/C=C\C(=N/C)C(F)(F)F.
What is the InChIKey of (3Z)-1,1,1-trifluoro-N,6-dimethylhepta-3,6-dien-2-imine?
The InChIKey is AJGODGQACSHAQE-RUMQPUKBSA-N. The full InChI is InChI=1S/C9H12F3N/c1-7(2)5-4-6-8(13-3)9(10,11)12/h4,6H,1,5H2,2-3H3/b6-4-,13-8+.
What are the key properties of (3Z)-1,1,1-trifluoro-N,6-dimethylhepta-3,6-dien-2-imine?
(3Z)-1,1,1-trifluoro-N,6-dimethylhepta-3,6-dien-2-imine has a molecular weight of 191.20 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1,1,1-trifluoro-N,6-dimethylhepta-3,6-dien-2-imine is sourced from PubChem (CID 142448631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).