(1E,3Z,5Z,7E)-4,6-difluoro-9-iminonona-1,3,5,7-tetraen-1-amine

C9H10F2N2 — CID 102270682

IUPAC(1E,3Z,5Z,7E)-4,6-difluoro-9-iminonona-1,3,5,7-tetraen-1-amine
SMILES[H]/N=C/C=C/C(F)=C/C(F)=C/C=C/N
InChIInChI=1S/C9H10F2N2/c10-8(3-1-5-12)7-9(11)4-2-6-13/h1-7,12H,13H2/b3-1+,6-2+,8-7-,9-4-,12-5+
InChIKeyAHYVICBNMBWXCO-UNKYEDKASA-N
MW184.19 g/mol
LogP2.37
Rot. Bonds4

About (1E,3Z,5Z,7E)-4,6-difluoro-9-iminonona-1,3,5,7-tetraen-1-amine

(1E,3Z,5Z,7E)-4,6-difluoro-9-iminonona-1,3,5,7-tetraen-1-amine (PubChem CID 102270682) has the molecular formula C9H10F2N2 and a molecular weight of 184.19 g/mol. Its IUPAC name is (1E,3Z,5Z,7E)-4,6-difluoro-9-iminonona-1,3,5,7-tetraen-1-amine.

Molecular Properties

Compound Name(1E,3Z,5Z,7E)-4,6-difluoro-9-iminonona-1,3,5,7-tetraen-1-amine
PubChem CID102270682
Molecular FormulaC9H10F2N2
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name(1E,3Z,5Z,7E)-4,6-difluoro-9-iminonona-1,3,5,7-tetraen-1-amine
SMILES[H]/N=C/C=C/C(F)=C/C(F)=C/C=C/N
InChIInChI=1S/C9H10F2N2/c10-8(3-1-5-12)7-9(11)4-2-6-13/h1-7,12H,13H2/b3-1+,6-2+,8-7-,9-4-,12-5+
InChIKeyAHYVICBNMBWXCO-UNKYEDKASA-N
XLogP2.37
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.37
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 (1E,3Z,5Z,7E)-4,6-difluoro-9-iminonona-1,3,5,7-tetraen-1-amine?
The IUPAC name of (1E,3Z,5Z,7E)-4,6-difluoro-9-iminonona-1,3,5,7-tetraen-1-amine (CID 102270682) is (1E,3Z,5Z,7E)-4,6-difluoro-9-iminonona-1,3,5,7-tetraen-1-amine.
What is the SMILES notation for (1E,3Z,5Z,7E)-4,6-difluoro-9-iminonona-1,3,5,7-tetraen-1-amine?
The canonical SMILES for (1E,3Z,5Z,7E)-4,6-difluoro-9-iminonona-1,3,5,7-tetraen-1-amine is [H]/N=C/C=C/C(F)=C/C(F)=C/C=C/N.
What is the InChIKey of (1E,3Z,5Z,7E)-4,6-difluoro-9-iminonona-1,3,5,7-tetraen-1-amine?
The InChIKey is AHYVICBNMBWXCO-UNKYEDKASA-N. The full InChI is InChI=1S/C9H10F2N2/c10-8(3-1-5-12)7-9(11)4-2-6-13/h1-7,12H,13H2/b3-1+,6-2+,8-7-,9-4-,12-5+.
What are the key properties of (1E,3Z,5Z,7E)-4,6-difluoro-9-iminonona-1,3,5,7-tetraen-1-amine?
(1E,3Z,5Z,7E)-4,6-difluoro-9-iminonona-1,3,5,7-tetraen-1-amine has a molecular weight of 184.19 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z,7E)-4,6-difluoro-9-iminonona-1,3,5,7-tetraen-1-amine is sourced from PubChem (CID 102270682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).