(2Z,4E)-4-tert-butyl-1,1,1-trifluorohepta-2,4-dien-2-amine

C11H18F3N — CID 163496500

IUPAC(2Z,4E)-4-tert-butyl-1,1,1-trifluorohepta-2,4-dien-2-amine
SMILESCC/C=C(\C=C(/N)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H18F3N/c1-5-6-8(10(2,3)4)7-9(15)11(12,13)14/h6-7H,5,15H2,1-4H3/b8-6+,9-7-
InChIKeyCREBNRBRDLYGHB-FFELTBSMSA-N
MW221.27 g/mol
LogP3.77
Rot. Bonds2

About (2Z,4E)-4-tert-butyl-1,1,1-trifluorohepta-2,4-dien-2-amine

(2Z,4E)-4-tert-butyl-1,1,1-trifluorohepta-2,4-dien-2-amine (PubChem CID 163496500) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is (2Z,4E)-4-tert-butyl-1,1,1-trifluorohepta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4E)-4-tert-butyl-1,1,1-trifluorohepta-2,4-dien-2-amine
PubChem CID163496500
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name(2Z,4E)-4-tert-butyl-1,1,1-trifluorohepta-2,4-dien-2-amine
SMILESCC/C=C(\C=C(/N)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H18F3N/c1-5-6-8(10(2,3)4)7-9(15)11(12,13)14/h6-7H,5,15H2,1-4H3/b8-6+,9-7-
InChIKeyCREBNRBRDLYGHB-FFELTBSMSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4E)-4-tert-butyl-1,1,1-trifluorohepta-2,4-dien-2-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 (2Z,4E)-4-tert-butyl-1,1,1-trifluorohepta-2,4-dien-2-amine?
The IUPAC name of (2Z,4E)-4-tert-butyl-1,1,1-trifluorohepta-2,4-dien-2-amine (CID 163496500) is (2Z,4E)-4-tert-butyl-1,1,1-trifluorohepta-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4E)-4-tert-butyl-1,1,1-trifluorohepta-2,4-dien-2-amine?
The canonical SMILES for (2Z,4E)-4-tert-butyl-1,1,1-trifluorohepta-2,4-dien-2-amine is CC/C=C(\C=C(/N)C(F)(F)F)C(C)(C)C.
What is the InChIKey of (2Z,4E)-4-tert-butyl-1,1,1-trifluorohepta-2,4-dien-2-amine?
The InChIKey is CREBNRBRDLYGHB-FFELTBSMSA-N. The full InChI is InChI=1S/C11H18F3N/c1-5-6-8(10(2,3)4)7-9(15)11(12,13)14/h6-7H,5,15H2,1-4H3/b8-6+,9-7-.
What are the key properties of (2Z,4E)-4-tert-butyl-1,1,1-trifluorohepta-2,4-dien-2-amine?
(2Z,4E)-4-tert-butyl-1,1,1-trifluorohepta-2,4-dien-2-amine has a molecular weight of 221.27 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-tert-butyl-1,1,1-trifluorohepta-2,4-dien-2-amine is sourced from PubChem (CID 163496500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).