(1E,3Z)-2-fluorohexa-1,3,5-triene-1,5-diamine

C6H9FN2 — CID 88874406

IUPAC(1E,3Z)-2-fluorohexa-1,3,5-triene-1,5-diamine
SMILESC=C(N)/C=C\C(F)=C/N
InChIInChI=1S/C6H9FN2/c1-5(9)2-3-6(7)4-8/h2-4H,1,8-9H2/b3-2-,6-4+
InChIKeyYMZMKQNSGGIWGK-MGLVMYNNSA-N
MW128.15 g/mol
LogP0.78
Rot. Bonds2

About (1E,3Z)-2-fluorohexa-1,3,5-triene-1,5-diamine

(1E,3Z)-2-fluorohexa-1,3,5-triene-1,5-diamine (PubChem CID 88874406) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is (1E,3Z)-2-fluorohexa-1,3,5-triene-1,5-diamine.

Molecular Properties

Compound Name(1E,3Z)-2-fluorohexa-1,3,5-triene-1,5-diamine
PubChem CID88874406
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name(1E,3Z)-2-fluorohexa-1,3,5-triene-1,5-diamine
SMILESC=C(N)/C=C\C(F)=C/N
InChIInChI=1S/C6H9FN2/c1-5(9)2-3-6(7)4-8/h2-4H,1,8-9H2/b3-2-,6-4+
InChIKeyYMZMKQNSGGIWGK-MGLVMYNNSA-N
XLogP0.78
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-2-fluorohexa-1,3,5-triene-1,5-diamine?
The IUPAC name of (1E,3Z)-2-fluorohexa-1,3,5-triene-1,5-diamine (CID 88874406) is (1E,3Z)-2-fluorohexa-1,3,5-triene-1,5-diamine.
What is the SMILES notation for (1E,3Z)-2-fluorohexa-1,3,5-triene-1,5-diamine?
The canonical SMILES for (1E,3Z)-2-fluorohexa-1,3,5-triene-1,5-diamine is C=C(N)/C=C\C(F)=C/N.
What is the InChIKey of (1E,3Z)-2-fluorohexa-1,3,5-triene-1,5-diamine?
The InChIKey is YMZMKQNSGGIWGK-MGLVMYNNSA-N. The full InChI is InChI=1S/C6H9FN2/c1-5(9)2-3-6(7)4-8/h2-4H,1,8-9H2/b3-2-,6-4+.
What are the key properties of (1E,3Z)-2-fluorohexa-1,3,5-triene-1,5-diamine?
(1E,3Z)-2-fluorohexa-1,3,5-triene-1,5-diamine has a molecular weight of 128.15 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2-fluorohexa-1,3,5-triene-1,5-diamine is sourced from PubChem (CID 88874406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).