(1Z,4E)-4-fluoro-N-methyl-3-methylidene-5-(methylideneamino)penta-1,4-dien-1-amine

C8H11FN2 — CID 88880534

IUPAC(1Z,4E)-4-fluoro-N-methyl-3-methylidene-5-(methylideneamino)penta-1,4-dien-1-amine
SMILESC=N/C=C(\F)C(=C)/C=C\NC
InChIInChI=1S/C8H11FN2/c1-7(4-5-10-2)8(9)6-11-3/h4-6,10H,1,3H2,2H3/b5-4-,8-6+
InChIKeyRPQYFNDMJNRTKL-GSGSLZOQSA-N
MW154.19 g/mol
LogP1.79
Rot. Bonds4

About (1Z,4E)-4-fluoro-N-methyl-3-methylidene-5-(methylideneamino)penta-1,4-dien-1-amine

(1Z,4E)-4-fluoro-N-methyl-3-methylidene-5-(methylideneamino)penta-1,4-dien-1-amine (PubChem CID 88880534) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is (1Z,4E)-4-fluoro-N-methyl-3-methylidene-5-(methylideneamino)penta-1,4-dien-1-amine.

Molecular Properties

Compound Name(1Z,4E)-4-fluoro-N-methyl-3-methylidene-5-(methylideneamino)penta-1,4-dien-1-amine
PubChem CID88880534
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name(1Z,4E)-4-fluoro-N-methyl-3-methylidene-5-(methylideneamino)penta-1,4-dien-1-amine
SMILESC=N/C=C(\F)C(=C)/C=C\NC
InChIInChI=1S/C8H11FN2/c1-7(4-5-10-2)8(9)6-11-3/h4-6,10H,1,3H2,2H3/b5-4-,8-6+
InChIKeyRPQYFNDMJNRTKL-GSGSLZOQSA-N
XLogP1.79
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.79
H-Bond Donors ≤ 51
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 (1Z,4E)-4-fluoro-N-methyl-3-methylidene-5-(methylideneamino)penta-1,4-dien-1-amine?
The IUPAC name of (1Z,4E)-4-fluoro-N-methyl-3-methylidene-5-(methylideneamino)penta-1,4-dien-1-amine (CID 88880534) is (1Z,4E)-4-fluoro-N-methyl-3-methylidene-5-(methylideneamino)penta-1,4-dien-1-amine.
What is the SMILES notation for (1Z,4E)-4-fluoro-N-methyl-3-methylidene-5-(methylideneamino)penta-1,4-dien-1-amine?
The canonical SMILES for (1Z,4E)-4-fluoro-N-methyl-3-methylidene-5-(methylideneamino)penta-1,4-dien-1-amine is C=N/C=C(\F)C(=C)/C=C\NC.
What is the InChIKey of (1Z,4E)-4-fluoro-N-methyl-3-methylidene-5-(methylideneamino)penta-1,4-dien-1-amine?
The InChIKey is RPQYFNDMJNRTKL-GSGSLZOQSA-N. The full InChI is InChI=1S/C8H11FN2/c1-7(4-5-10-2)8(9)6-11-3/h4-6,10H,1,3H2,2H3/b5-4-,8-6+.
What are the key properties of (1Z,4E)-4-fluoro-N-methyl-3-methylidene-5-(methylideneamino)penta-1,4-dien-1-amine?
(1Z,4E)-4-fluoro-N-methyl-3-methylidene-5-(methylideneamino)penta-1,4-dien-1-amine has a molecular weight of 154.19 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4E)-4-fluoro-N-methyl-3-methylidene-5-(methylideneamino)penta-1,4-dien-1-amine is sourced from PubChem (CID 88880534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).