(3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine

C10H16F3N — CID 88578859

IUPAC(3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine
SMILESC=C/C(=C\CC(C)C(F)(F)F)N(C)C
InChIInChI=1S/C10H16F3N/c1-5-9(14(3)4)7-6-8(2)10(11,12)13/h5,7-8H,1,6H2,2-4H3/b9-7+
InChIKeySELZNNIIMVQVOI-VQHVLOKHSA-N
MW207.24 g/mol
LogP3.21
Rot. Bonds4

About (3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine

(3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine (PubChem CID 88578859) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is (3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine
PubChem CID88578859
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name(3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine
SMILESC=C/C(=C\CC(C)C(F)(F)F)N(C)C
InChIInChI=1S/C10H16F3N/c1-5-9(14(3)4)7-6-8(2)10(11,12)13/h5,7-8H,1,6H2,2-4H3/b9-7+
InChIKeySELZNNIIMVQVOI-VQHVLOKHSA-N
XLogP3.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-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 (3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine?
The IUPAC name of (3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine (CID 88578859) is (3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine.
What is the SMILES notation for (3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine?
The canonical SMILES for (3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine is C=C/C(=C\CC(C)C(F)(F)F)N(C)C.
What is the InChIKey of (3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine?
The InChIKey is SELZNNIIMVQVOI-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H16F3N/c1-5-9(14(3)4)7-6-8(2)10(11,12)13/h5,7-8H,1,6H2,2-4H3/b9-7+.
What are the key properties of (3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine?
(3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine has a molecular weight of 207.24 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-7,7,7-trifluoro-N,N,6-trimethylhepta-1,3-dien-3-amine is sourced from PubChem (CID 88578859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).