N-[(Z,2Z)-2-(1-fluoroethylidene)pent-3-enyl]ethanimine

C9H14FN — CID 142913200

IUPACN-[(Z,2Z)-2-(1-fluoroethylidene)pent-3-enyl]ethanimine
SMILESC/C=C\C(C/N=C/C)=C(/C)F
InChIInChI=1S/C9H14FN/c1-4-6-9(8(3)10)7-11-5-2/h4-6H,7H2,1-3H3/b6-4-,9-8-,11-5+
InChIKeyPPXPIZUFJVAJBJ-IFXCEKJZSA-N
MW155.22 g/mol
LogP2.90
Rot. Bonds3

About N-[(Z,2Z)-2-(1-fluoroethylidene)pent-3-enyl]ethanimine

N-[(Z,2Z)-2-(1-fluoroethylidene)pent-3-enyl]ethanimine (PubChem CID 142913200) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is N-[(Z,2Z)-2-(1-fluoroethylidene)pent-3-enyl]ethanimine.

Molecular Properties

Compound NameN-[(Z,2Z)-2-(1-fluoroethylidene)pent-3-enyl]ethanimine
PubChem CID142913200
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC NameN-[(Z,2Z)-2-(1-fluoroethylidene)pent-3-enyl]ethanimine
SMILESC/C=C\C(C/N=C/C)=C(/C)F
InChIInChI=1S/C9H14FN/c1-4-6-9(8(3)10)7-11-5-2/h4-6H,7H2,1-3H3/b6-4-,9-8-,11-5+
InChIKeyPPXPIZUFJVAJBJ-IFXCEKJZSA-N
XLogP2.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-[(Z,2Z)-2-(1-fluoroethylidene)pent-3-enyl]ethanimine?
The IUPAC name of N-[(Z,2Z)-2-(1-fluoroethylidene)pent-3-enyl]ethanimine (CID 142913200) is N-[(Z,2Z)-2-(1-fluoroethylidene)pent-3-enyl]ethanimine.
What is the SMILES notation for N-[(Z,2Z)-2-(1-fluoroethylidene)pent-3-enyl]ethanimine?
The canonical SMILES for N-[(Z,2Z)-2-(1-fluoroethylidene)pent-3-enyl]ethanimine is C/C=C\C(C/N=C/C)=C(/C)F.
What is the InChIKey of N-[(Z,2Z)-2-(1-fluoroethylidene)pent-3-enyl]ethanimine?
The InChIKey is PPXPIZUFJVAJBJ-IFXCEKJZSA-N. The full InChI is InChI=1S/C9H14FN/c1-4-6-9(8(3)10)7-11-5-2/h4-6H,7H2,1-3H3/b6-4-,9-8-,11-5+.
What are the key properties of N-[(Z,2Z)-2-(1-fluoroethylidene)pent-3-enyl]ethanimine?
N-[(Z,2Z)-2-(1-fluoroethylidene)pent-3-enyl]ethanimine has a molecular weight of 155.22 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,2Z)-2-(1-fluoroethylidene)pent-3-enyl]ethanimine is sourced from PubChem (CID 142913200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).