(1E,3E,5Z,7E)-5-fluoro-9-iminonona-1,3,5,7-tetraen-1-amine

C9H11FN2 — CID 102270681

IUPAC(1E,3E,5Z,7E)-5-fluoro-9-iminonona-1,3,5,7-tetraen-1-amine
SMILES[H]/N=C/C=C/C=C(F)/C=C/C=C/N
InChIInChI=1S/C9H11FN2/c10-9(5-1-3-7-11)6-2-4-8-12/h1-8,11H,12H2/b3-1+,6-2+,8-4+,9-5-,11-7+
InChIKeySXBABIHCJTWSTP-STOHIYMNSA-N
MW166.20 g/mol
LogP2.07
Rot. Bonds4

About (1E,3E,5Z,7E)-5-fluoro-9-iminonona-1,3,5,7-tetraen-1-amine

(1E,3E,5Z,7E)-5-fluoro-9-iminonona-1,3,5,7-tetraen-1-amine (PubChem CID 102270681) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is (1E,3E,5Z,7E)-5-fluoro-9-iminonona-1,3,5,7-tetraen-1-amine.

Molecular Properties

Compound Name(1E,3E,5Z,7E)-5-fluoro-9-iminonona-1,3,5,7-tetraen-1-amine
PubChem CID102270681
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name(1E,3E,5Z,7E)-5-fluoro-9-iminonona-1,3,5,7-tetraen-1-amine
SMILES[H]/N=C/C=C/C=C(F)/C=C/C=C/N
InChIInChI=1S/C9H11FN2/c10-9(5-1-3-7-11)6-2-4-8-12/h1-8,11H,12H2/b3-1+,6-2+,8-4+,9-5-,11-7+
InChIKeySXBABIHCJTWSTP-STOHIYMNSA-N
XLogP2.07
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 52.07
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,3E,5Z,7E)-5-fluoro-9-iminonona-1,3,5,7-tetraen-1-amine?
The IUPAC name of (1E,3E,5Z,7E)-5-fluoro-9-iminonona-1,3,5,7-tetraen-1-amine (CID 102270681) is (1E,3E,5Z,7E)-5-fluoro-9-iminonona-1,3,5,7-tetraen-1-amine.
What is the SMILES notation for (1E,3E,5Z,7E)-5-fluoro-9-iminonona-1,3,5,7-tetraen-1-amine?
The canonical SMILES for (1E,3E,5Z,7E)-5-fluoro-9-iminonona-1,3,5,7-tetraen-1-amine is [H]/N=C/C=C/C=C(F)/C=C/C=C/N.
What is the InChIKey of (1E,3E,5Z,7E)-5-fluoro-9-iminonona-1,3,5,7-tetraen-1-amine?
The InChIKey is SXBABIHCJTWSTP-STOHIYMNSA-N. The full InChI is InChI=1S/C9H11FN2/c10-9(5-1-3-7-11)6-2-4-8-12/h1-8,11H,12H2/b3-1+,6-2+,8-4+,9-5-,11-7+.
What are the key properties of (1E,3E,5Z,7E)-5-fluoro-9-iminonona-1,3,5,7-tetraen-1-amine?
(1E,3E,5Z,7E)-5-fluoro-9-iminonona-1,3,5,7-tetraen-1-amine has a molecular weight of 166.20 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5Z,7E)-5-fluoro-9-iminonona-1,3,5,7-tetraen-1-amine is sourced from PubChem (CID 102270681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).