(2E,4E)-5-fluorohexa-2,4-diene-1,4-diamine

C6H11FN2 — CID 89416521

IUPAC(2E,4E)-5-fluorohexa-2,4-diene-1,4-diamine
SMILESC/C(F)=C(N)/C=C/CN
InChIInChI=1S/C6H11FN2/c1-5(7)6(9)3-2-4-8/h2-3H,4,8-9H2,1H3/b3-2+,6-5+
InChIKeyPPYIMHPCCWGERE-ZIMISOLQSA-N
MW130.17 g/mol
LogP0.66
Rot. Bonds2

About (2E,4E)-5-fluorohexa-2,4-diene-1,4-diamine

(2E,4E)-5-fluorohexa-2,4-diene-1,4-diamine (PubChem CID 89416521) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is (2E,4E)-5-fluorohexa-2,4-diene-1,4-diamine.

Molecular Properties

Compound Name(2E,4E)-5-fluorohexa-2,4-diene-1,4-diamine
PubChem CID89416521
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name(2E,4E)-5-fluorohexa-2,4-diene-1,4-diamine
SMILESC/C(F)=C(N)/C=C/CN
InChIInChI=1S/C6H11FN2/c1-5(7)6(9)3-2-4-8/h2-3H,4,8-9H2,1H3/b3-2+,6-5+
InChIKeyPPYIMHPCCWGERE-ZIMISOLQSA-N
XLogP0.66
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.66
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 (2E,4E)-5-fluorohexa-2,4-diene-1,4-diamine?
The IUPAC name of (2E,4E)-5-fluorohexa-2,4-diene-1,4-diamine (CID 89416521) is (2E,4E)-5-fluorohexa-2,4-diene-1,4-diamine.
What is the SMILES notation for (2E,4E)-5-fluorohexa-2,4-diene-1,4-diamine?
The canonical SMILES for (2E,4E)-5-fluorohexa-2,4-diene-1,4-diamine is C/C(F)=C(N)/C=C/CN.
What is the InChIKey of (2E,4E)-5-fluorohexa-2,4-diene-1,4-diamine?
The InChIKey is PPYIMHPCCWGERE-ZIMISOLQSA-N. The full InChI is InChI=1S/C6H11FN2/c1-5(7)6(9)3-2-4-8/h2-3H,4,8-9H2,1H3/b3-2+,6-5+.
What are the key properties of (2E,4E)-5-fluorohexa-2,4-diene-1,4-diamine?
(2E,4E)-5-fluorohexa-2,4-diene-1,4-diamine has a molecular weight of 130.17 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-fluorohexa-2,4-diene-1,4-diamine is sourced from PubChem (CID 89416521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).