1-[(7E)-7-fluoro-6-methylidene-5H-azocin-2-yl]ethanimine

C10H11FN2 — CID 90725446

IUPAC1-[(7E)-7-fluoro-6-methylidene-5H-azocin-2-yl]ethanimine
SMILES[H]/N=C(C)/C1=N/C=C(/F)C(=C)CC=C1
InChIInChI=1S/C10H11FN2/c1-7-4-3-5-10(8(2)12)13-6-9(7)11/h3,5-6,12H,1,4H2,2H3/b5-3?,9-6+,12-8+,13-10+
InChIKeyRYKGMSOOBWMIBB-BJTDQBMCSA-N
MW178.21 g/mol
LogP2.79
Rot. Bonds1

About 1-[(7E)-7-fluoro-6-methylidene-5H-azocin-2-yl]ethanimine

1-[(7E)-7-fluoro-6-methylidene-5H-azocin-2-yl]ethanimine (PubChem CID 90725446) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 1-[(7E)-7-fluoro-6-methylidene-5H-azocin-2-yl]ethanimine.

Molecular Properties

Compound Name1-[(7E)-7-fluoro-6-methylidene-5H-azocin-2-yl]ethanimine
PubChem CID90725446
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name1-[(7E)-7-fluoro-6-methylidene-5H-azocin-2-yl]ethanimine
SMILES[H]/N=C(C)/C1=N/C=C(/F)C(=C)CC=C1
InChIInChI=1S/C10H11FN2/c1-7-4-3-5-10(8(2)12)13-6-9(7)11/h3,5-6,12H,1,4H2,2H3/b5-3?,9-6+,12-8+,13-10+
InChIKeyRYKGMSOOBWMIBB-BJTDQBMCSA-N
XLogP2.79
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(7E)-7-fluoro-6-methylidene-5H-azocin-2-yl]ethanimine?
The IUPAC name of 1-[(7E)-7-fluoro-6-methylidene-5H-azocin-2-yl]ethanimine (CID 90725446) is 1-[(7E)-7-fluoro-6-methylidene-5H-azocin-2-yl]ethanimine.
What is the SMILES notation for 1-[(7E)-7-fluoro-6-methylidene-5H-azocin-2-yl]ethanimine?
The canonical SMILES for 1-[(7E)-7-fluoro-6-methylidene-5H-azocin-2-yl]ethanimine is [H]/N=C(C)/C1=N/C=C(/F)C(=C)CC=C1.
What is the InChIKey of 1-[(7E)-7-fluoro-6-methylidene-5H-azocin-2-yl]ethanimine?
The InChIKey is RYKGMSOOBWMIBB-BJTDQBMCSA-N. The full InChI is InChI=1S/C10H11FN2/c1-7-4-3-5-10(8(2)12)13-6-9(7)11/h3,5-6,12H,1,4H2,2H3/b5-3?,9-6+,12-8+,13-10+.
What are the key properties of 1-[(7E)-7-fluoro-6-methylidene-5H-azocin-2-yl]ethanimine?
1-[(7E)-7-fluoro-6-methylidene-5H-azocin-2-yl]ethanimine has a molecular weight of 178.21 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7E)-7-fluoro-6-methylidene-5H-azocin-2-yl]ethanimine is sourced from PubChem (CID 90725446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).