(1E)-2-ethenyl-N-fluoro-3-imino-N-methylpenta-1,4-dien-1-amine

C8H11FN2 — CID 169180161

IUPAC(1E)-2-ethenyl-N-fluoro-3-imino-N-methylpenta-1,4-dien-1-amine
SMILES[H]/N=C(\C=C)C(C=C)=CN(C)F
InChIInChI=1S/C8H11FN2/c1-4-7(6-11(3)9)8(10)5-2/h4-6,10H,1-2H2,3H3/b7-6+,10-8+
InChIKeyYHPPRYHNXUJGPE-LQPGMRSMSA-N
MW154.19 g/mol
LogP2.08
Rot. Bonds4

About (1E)-2-ethenyl-N-fluoro-3-imino-N-methylpenta-1,4-dien-1-amine

(1E)-2-ethenyl-N-fluoro-3-imino-N-methylpenta-1,4-dien-1-amine (PubChem CID 169180161) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is (1E)-2-ethenyl-N-fluoro-3-imino-N-methylpenta-1,4-dien-1-amine.

Molecular Properties

Compound Name(1E)-2-ethenyl-N-fluoro-3-imino-N-methylpenta-1,4-dien-1-amine
PubChem CID169180161
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name(1E)-2-ethenyl-N-fluoro-3-imino-N-methylpenta-1,4-dien-1-amine
SMILES[H]/N=C(\C=C)C(C=C)=CN(C)F
InChIInChI=1S/C8H11FN2/c1-4-7(6-11(3)9)8(10)5-2/h4-6,10H,1-2H2,3H3/b7-6+,10-8+
InChIKeyYHPPRYHNXUJGPE-LQPGMRSMSA-N
XLogP2.08
TPSA27.09 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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-2-ethenyl-N-fluoro-3-imino-N-methylpenta-1,4-dien-1-amine?
The IUPAC name of (1E)-2-ethenyl-N-fluoro-3-imino-N-methylpenta-1,4-dien-1-amine (CID 169180161) is (1E)-2-ethenyl-N-fluoro-3-imino-N-methylpenta-1,4-dien-1-amine.
What is the SMILES notation for (1E)-2-ethenyl-N-fluoro-3-imino-N-methylpenta-1,4-dien-1-amine?
The canonical SMILES for (1E)-2-ethenyl-N-fluoro-3-imino-N-methylpenta-1,4-dien-1-amine is [H]/N=C(\C=C)C(C=C)=CN(C)F.
What is the InChIKey of (1E)-2-ethenyl-N-fluoro-3-imino-N-methylpenta-1,4-dien-1-amine?
The InChIKey is YHPPRYHNXUJGPE-LQPGMRSMSA-N. The full InChI is InChI=1S/C8H11FN2/c1-4-7(6-11(3)9)8(10)5-2/h4-6,10H,1-2H2,3H3/b7-6+,10-8+.
What are the key properties of (1E)-2-ethenyl-N-fluoro-3-imino-N-methylpenta-1,4-dien-1-amine?
(1E)-2-ethenyl-N-fluoro-3-imino-N-methylpenta-1,4-dien-1-amine has a molecular weight of 154.19 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-ethenyl-N-fluoro-3-imino-N-methylpenta-1,4-dien-1-amine is sourced from PubChem (CID 169180161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).