N-[(Z)-4-fluorohex-2-enyl]methanimine

C7H12FN — CID 167132193

IUPACN-[(Z)-4-fluorohex-2-enyl]methanimine
SMILESC=NC/C=C\C(F)CC
InChIInChI=1S/C7H12FN/c1-3-7(8)5-4-6-9-2/h4-5,7H,2-3,6H2,1H3/b5-4-
InChIKeyPQEABFVDJUTPOA-PLNGDYQASA-N
MW129.18 g/mol
LogP1.99
Rot. Bonds4

About N-[(Z)-4-fluorohex-2-enyl]methanimine

N-[(Z)-4-fluorohex-2-enyl]methanimine (PubChem CID 167132193) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is N-[(Z)-4-fluorohex-2-enyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-4-fluorohex-2-enyl]methanimine
PubChem CID167132193
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC NameN-[(Z)-4-fluorohex-2-enyl]methanimine
SMILESC=NC/C=C\C(F)CC
InChIInChI=1S/C7H12FN/c1-3-7(8)5-4-6-9-2/h4-5,7H,2-3,6H2,1H3/b5-4-
InChIKeyPQEABFVDJUTPOA-PLNGDYQASA-N
XLogP1.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-fluorohex-2-enyl]methanimine?
The IUPAC name of N-[(Z)-4-fluorohex-2-enyl]methanimine (CID 167132193) is N-[(Z)-4-fluorohex-2-enyl]methanimine.
What is the SMILES notation for N-[(Z)-4-fluorohex-2-enyl]methanimine?
The canonical SMILES for N-[(Z)-4-fluorohex-2-enyl]methanimine is C=NC/C=C\C(F)CC.
What is the InChIKey of N-[(Z)-4-fluorohex-2-enyl]methanimine?
The InChIKey is PQEABFVDJUTPOA-PLNGDYQASA-N. The full InChI is InChI=1S/C7H12FN/c1-3-7(8)5-4-6-9-2/h4-5,7H,2-3,6H2,1H3/b5-4-.
What are the key properties of N-[(Z)-4-fluorohex-2-enyl]methanimine?
N-[(Z)-4-fluorohex-2-enyl]methanimine has a molecular weight of 129.18 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-fluorohex-2-enyl]methanimine is sourced from PubChem (CID 167132193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).