(2E,4E)-5-fluorohexa-2,4-dien-2-amine

C6H10FN — CID 89336345

IUPAC(2E,4E)-5-fluorohexa-2,4-dien-2-amine
SMILESC/C(N)=C\C=C(/C)F
InChIInChI=1S/C6H10FN/c1-5(7)3-4-6(2)8/h3-4H,8H2,1-2H3/b5-3+,6-4+
InChIKeyOEYNWKBHAPCIJK-GGWOSOGESA-N
MW115.15 g/mol
LogP1.72
Rot. Bonds1

About (2E,4E)-5-fluorohexa-2,4-dien-2-amine

(2E,4E)-5-fluorohexa-2,4-dien-2-amine (PubChem CID 89336345) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is (2E,4E)-5-fluorohexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4E)-5-fluorohexa-2,4-dien-2-amine
PubChem CID89336345
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name(2E,4E)-5-fluorohexa-2,4-dien-2-amine
SMILESC/C(N)=C\C=C(/C)F
InChIInChI=1S/C6H10FN/c1-5(7)3-4-6(2)8/h3-4H,8H2,1-2H3/b5-3+,6-4+
InChIKeyOEYNWKBHAPCIJK-GGWOSOGESA-N
XLogP1.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4E)-5-fluorohexa-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 (2E,4E)-5-fluorohexa-2,4-dien-2-amine?
The IUPAC name of (2E,4E)-5-fluorohexa-2,4-dien-2-amine (CID 89336345) is (2E,4E)-5-fluorohexa-2,4-dien-2-amine.
What is the SMILES notation for (2E,4E)-5-fluorohexa-2,4-dien-2-amine?
The canonical SMILES for (2E,4E)-5-fluorohexa-2,4-dien-2-amine is C/C(N)=C\C=C(/C)F.
What is the InChIKey of (2E,4E)-5-fluorohexa-2,4-dien-2-amine?
The InChIKey is OEYNWKBHAPCIJK-GGWOSOGESA-N. The full InChI is InChI=1S/C6H10FN/c1-5(7)3-4-6(2)8/h3-4H,8H2,1-2H3/b5-3+,6-4+.
What are the key properties of (2E,4E)-5-fluorohexa-2,4-dien-2-amine?
(2E,4E)-5-fluorohexa-2,4-dien-2-amine has a molecular weight of 115.15 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-fluorohexa-2,4-dien-2-amine is sourced from PubChem (CID 89336345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).