(2E,4E)-5-fluoro-6-iminohexa-2,4-dien-2-amine

C6H9FN2 — CID 174339856

IUPAC(2E,4E)-5-fluoro-6-iminohexa-2,4-dien-2-amine
SMILES[H]/N=C/C(F)=C\C=C(/C)N
InChIInChI=1S/C6H9FN2/c1-5(9)2-3-6(7)4-8/h2-4,8H,9H2,1H3/b5-2+,6-3+,8-4+
InChIKeyHOKLCPQVGBAPEI-RNYXWSOMSA-N
MW128.15 g/mol
LogP1.35
Rot. Bonds2

About (2E,4E)-5-fluoro-6-iminohexa-2,4-dien-2-amine

(2E,4E)-5-fluoro-6-iminohexa-2,4-dien-2-amine (PubChem CID 174339856) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is (2E,4E)-5-fluoro-6-iminohexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4E)-5-fluoro-6-iminohexa-2,4-dien-2-amine
PubChem CID174339856
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name(2E,4E)-5-fluoro-6-iminohexa-2,4-dien-2-amine
SMILES[H]/N=C/C(F)=C\C=C(/C)N
InChIInChI=1S/C6H9FN2/c1-5(9)2-3-6(7)4-8/h2-4,8H,9H2,1H3/b5-2+,6-3+,8-4+
InChIKeyHOKLCPQVGBAPEI-RNYXWSOMSA-N
XLogP1.35
TPSA49.87 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 ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-fluoro-6-iminohexa-2,4-dien-2-amine?
The IUPAC name of (2E,4E)-5-fluoro-6-iminohexa-2,4-dien-2-amine (CID 174339856) is (2E,4E)-5-fluoro-6-iminohexa-2,4-dien-2-amine.
What is the SMILES notation for (2E,4E)-5-fluoro-6-iminohexa-2,4-dien-2-amine?
The canonical SMILES for (2E,4E)-5-fluoro-6-iminohexa-2,4-dien-2-amine is [H]/N=C/C(F)=C\C=C(/C)N.
What is the InChIKey of (2E,4E)-5-fluoro-6-iminohexa-2,4-dien-2-amine?
The InChIKey is HOKLCPQVGBAPEI-RNYXWSOMSA-N. The full InChI is InChI=1S/C6H9FN2/c1-5(9)2-3-6(7)4-8/h2-4,8H,9H2,1H3/b5-2+,6-3+,8-4+.
What are the key properties of (2E,4E)-5-fluoro-6-iminohexa-2,4-dien-2-amine?
(2E,4E)-5-fluoro-6-iminohexa-2,4-dien-2-amine has a molecular weight of 128.15 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-fluoro-6-iminohexa-2,4-dien-2-amine is sourced from PubChem (CID 174339856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).