(3E,5E)-N-ethyl-6-fluorohepta-1,3,5-trien-3-amine

C9H14FN — CID 143108123

IUPAC(3E,5E)-N-ethyl-6-fluorohepta-1,3,5-trien-3-amine
SMILESC=C/C(=C\C=C(/C)F)NCC
InChIInChI=1S/C9H14FN/c1-4-9(11-5-2)7-6-8(3)10/h4,6-7,11H,1,5H2,2-3H3/b8-6+,9-7+
InChIKeyYXQAXGLQVQPMLP-CDJQDVQCSA-N
MW155.22 g/mol
LogP2.54
Rot. Bonds4

About (3E,5E)-N-ethyl-6-fluorohepta-1,3,5-trien-3-amine

(3E,5E)-N-ethyl-6-fluorohepta-1,3,5-trien-3-amine (PubChem CID 143108123) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (3E,5E)-N-ethyl-6-fluorohepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5E)-N-ethyl-6-fluorohepta-1,3,5-trien-3-amine
PubChem CID143108123
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name(3E,5E)-N-ethyl-6-fluorohepta-1,3,5-trien-3-amine
SMILESC=C/C(=C\C=C(/C)F)NCC
InChIInChI=1S/C9H14FN/c1-4-9(11-5-2)7-6-8(3)10/h4,6-7,11H,1,5H2,2-3H3/b8-6+,9-7+
InChIKeyYXQAXGLQVQPMLP-CDJQDVQCSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-N-ethyl-6-fluorohepta-1,3,5-trien-3-amine?
The IUPAC name of (3E,5E)-N-ethyl-6-fluorohepta-1,3,5-trien-3-amine (CID 143108123) is (3E,5E)-N-ethyl-6-fluorohepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5E)-N-ethyl-6-fluorohepta-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5E)-N-ethyl-6-fluorohepta-1,3,5-trien-3-amine is C=C/C(=C\C=C(/C)F)NCC.
What is the InChIKey of (3E,5E)-N-ethyl-6-fluorohepta-1,3,5-trien-3-amine?
The InChIKey is YXQAXGLQVQPMLP-CDJQDVQCSA-N. The full InChI is InChI=1S/C9H14FN/c1-4-9(11-5-2)7-6-8(3)10/h4,6-7,11H,1,5H2,2-3H3/b8-6+,9-7+.
What are the key properties of (3E,5E)-N-ethyl-6-fluorohepta-1,3,5-trien-3-amine?
(3E,5E)-N-ethyl-6-fluorohepta-1,3,5-trien-3-amine has a molecular weight of 155.22 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-N-ethyl-6-fluorohepta-1,3,5-trien-3-amine is sourced from PubChem (CID 143108123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).