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

C6H9FN2 — CID 89025484

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

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

(1E,3Z)-5-fluorohexa-1,3,5-triene-1,2-diamine (PubChem CID 89025484) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is (1E,3Z)-5-fluorohexa-1,3,5-triene-1,2-diamine.

Molecular Properties

Compound Name(1E,3Z)-5-fluorohexa-1,3,5-triene-1,2-diamine
PubChem CID89025484
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name(1E,3Z)-5-fluorohexa-1,3,5-triene-1,2-diamine
SMILESC=C(F)/C=C\C(N)=C/N
InChIInChI=1S/C6H9FN2/c1-5(7)2-3-6(9)4-8/h2-4H,1,8-9H2/b3-2-,6-4+
InChIKeyWFYMSOORCHDDHX-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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Related Compounds

6-fluoro-1H-azepin-4-amine
CID 68716508
(1E,3Z)-2-fluorohexa-1,3,5-triene-1,5-diamine
CID 88874406
2-Fluoro-1,2-dihydropyridin-4-amine
CID 89060898
(3E,5Z)-7-fluorohepta-1,3,5-trien-4-amine
CID 89074081
(1Z,3E)-3-fluorohexa-1,3,5-trien-1-amine
CID 89143644
(2E,4E)-5-fluorohexa-2,4-diene-1,4-diamine
CID 89416521
(1Z,3E)-4-fluorohexa-1,3,5-trien-1-amine
CID 129196450
(1E,3E)-4-fluoro-1-N,1-N-dimethylhexa-1,3,5-triene-1,2-diamine
CID 130256401
(3Z)-5-fluorohexa-1,3,5-trien-2-amine
CID 134277214
(2E,4Z,6Z)-2-N-ethenyl-4-fluoroocta-2,4,6-triene-2,5-diamine
CID 137466729
(1Z,3Z)-5-fluoropenta-1,3-dien-1-amine
CID 141990063
(3E)-5-fluorohexa-1,3,5-trien-3-amine
CID 143275424

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-5-fluorohexa-1,3,5-triene-1,2-diamine?
The IUPAC name of (1E,3Z)-5-fluorohexa-1,3,5-triene-1,2-diamine (CID 89025484) is (1E,3Z)-5-fluorohexa-1,3,5-triene-1,2-diamine.
What is the SMILES notation for (1E,3Z)-5-fluorohexa-1,3,5-triene-1,2-diamine?
The canonical SMILES for (1E,3Z)-5-fluorohexa-1,3,5-triene-1,2-diamine is C=C(F)/C=C\C(N)=C/N.
What is the InChIKey of (1E,3Z)-5-fluorohexa-1,3,5-triene-1,2-diamine?
The InChIKey is WFYMSOORCHDDHX-MGLVMYNNSA-N. The full InChI is InChI=1S/C6H9FN2/c1-5(7)2-3-6(9)4-8/h2-4H,1,8-9H2/b3-2-,6-4+.
What are the key properties of (1E,3Z)-5-fluorohexa-1,3,5-triene-1,2-diamine?
(1E,3Z)-5-fluorohexa-1,3,5-triene-1,2-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)-5-fluorohexa-1,3,5-triene-1,2-diamine is sourced from PubChem (CID 89025484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).