(E)-4-fluorohept-3-en-6-yn-1-imine

C7H8FN — CID 130341050

IUPAC(E)-4-fluorohept-3-en-6-yn-1-imine
SMILES[H]/N=C/C/C=C(/F)CC#C
InChIInChI=1S/C7H8FN/c1-2-4-7(8)5-3-6-9/h1,5-6,9H,3-4H2/b7-5+,9-6+
InChIKeyIZCBSNGXRDPHPB-PDTNFJSOSA-N
MW125.15 g/mol
LogP1.90
Rot. Bonds3

About (E)-4-fluorohept-3-en-6-yn-1-imine

(E)-4-fluorohept-3-en-6-yn-1-imine (PubChem CID 130341050) has the molecular formula C7H8FN and a molecular weight of 125.15 g/mol. Its IUPAC name is (E)-4-fluorohept-3-en-6-yn-1-imine.

Molecular Properties

Compound Name(E)-4-fluorohept-3-en-6-yn-1-imine
PubChem CID130341050
Molecular FormulaC7H8FN
Molecular Weight125.15 g/mol
Exact Mass125.06
IUPAC Name(E)-4-fluorohept-3-en-6-yn-1-imine
SMILES[H]/N=C/C/C=C(/F)CC#C
InChIInChI=1S/C7H8FN/c1-2-4-7(8)5-3-6-9/h1,5-6,9H,3-4H2/b7-5+,9-6+
InChIKeyIZCBSNGXRDPHPB-PDTNFJSOSA-N
XLogP1.90
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-fluorohept-3-en-6-yn-1-imine?
The IUPAC name of (E)-4-fluorohept-3-en-6-yn-1-imine (CID 130341050) is (E)-4-fluorohept-3-en-6-yn-1-imine.
What is the SMILES notation for (E)-4-fluorohept-3-en-6-yn-1-imine?
The canonical SMILES for (E)-4-fluorohept-3-en-6-yn-1-imine is [H]/N=C/C/C=C(/F)CC#C.
What is the InChIKey of (E)-4-fluorohept-3-en-6-yn-1-imine?
The InChIKey is IZCBSNGXRDPHPB-PDTNFJSOSA-N. The full InChI is InChI=1S/C7H8FN/c1-2-4-7(8)5-3-6-9/h1,5-6,9H,3-4H2/b7-5+,9-6+.
What are the key properties of (E)-4-fluorohept-3-en-6-yn-1-imine?
(E)-4-fluorohept-3-en-6-yn-1-imine has a molecular weight of 125.15 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-fluorohept-3-en-6-yn-1-imine is sourced from PubChem (CID 130341050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).