N-[(1E)-2-fluorobuta-1,3-dienyl]pentan-2-imine

C9H14FN — CID 168972303

IUPACN-[(1E)-2-fluorobuta-1,3-dienyl]pentan-2-imine
SMILESC=C/C(F)=C\N=C(/C)CCC
InChIInChI=1S/C9H14FN/c1-4-6-8(3)11-7-9(10)5-2/h5,7H,2,4,6H2,1,3H3/b9-7+,11-8+
InChIKeyWPTKEMPUJZURAG-BIZFVBGRSA-N
MW155.22 g/mol
LogP3.24
Rot. Bonds4

About N-[(1E)-2-fluorobuta-1,3-dienyl]pentan-2-imine

N-[(1E)-2-fluorobuta-1,3-dienyl]pentan-2-imine (PubChem CID 168972303) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is N-[(1E)-2-fluorobuta-1,3-dienyl]pentan-2-imine.

Molecular Properties

Compound NameN-[(1E)-2-fluorobuta-1,3-dienyl]pentan-2-imine
PubChem CID168972303
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC NameN-[(1E)-2-fluorobuta-1,3-dienyl]pentan-2-imine
SMILESC=C/C(F)=C\N=C(/C)CCC
InChIInChI=1S/C9H14FN/c1-4-6-8(3)11-7-9(10)5-2/h5,7H,2,4,6H2,1,3H3/b9-7+,11-8+
InChIKeyWPTKEMPUJZURAG-BIZFVBGRSA-N
XLogP3.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 53.24
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'}

Analyze N-[(1E)-2-fluorobuta-1,3-dienyl]pentan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1E)-2-fluorobuta-1,3-dienyl]-3-methylpentan-2-imine
CID 123854276
N-[(1E)-2-fluorobuta-1,3-dienyl]-3,3-dimethylbutan-2-imine
CID 138751979
(E)-N-[(1E)-1-fluorobuta-1,3-dienyl]butan-2-imine
CID 144064637
N-[(1E)-2-fluorobuta-1,3-dienyl]propan-2-imine
CID 144406111
5,5,5-trifluoro-N-[(1Z)-3-iodobuta-1,3-dienyl]pentan-2-imine
CID 149562533
N-[(1E)-1-fluorobuta-1,3-dienyl]butan-2-imine
CID 170296968
N-[(1E)-2-fluorobuta-1,3-dienyl]-3-methylbutan-2-imine
CID 170732083
3-fluoro-N-[(Z)-pent-1-enyl]pentan-2-imine
CID 171815544
butan-2-one N-(buta-1,3-dienyl)imine
CID 129873688
N-[(E)-2-fluoroprop-1-enyl]butan-2-imine
CID 142207587
N-[(Z)-but-1-enyl]-1-fluorobutan-2-imine
CID 142996705
N-[(1Z)-buta-1,3-dienyl]-3-fluorobutan-2-imine
CID 142996717

Frequently Asked Questions

What is the IUPAC name of N-[(1E)-2-fluorobuta-1,3-dienyl]pentan-2-imine?
The IUPAC name of N-[(1E)-2-fluorobuta-1,3-dienyl]pentan-2-imine (CID 168972303) is N-[(1E)-2-fluorobuta-1,3-dienyl]pentan-2-imine.
What is the SMILES notation for N-[(1E)-2-fluorobuta-1,3-dienyl]pentan-2-imine?
The canonical SMILES for N-[(1E)-2-fluorobuta-1,3-dienyl]pentan-2-imine is C=C/C(F)=C\N=C(/C)CCC.
What is the InChIKey of N-[(1E)-2-fluorobuta-1,3-dienyl]pentan-2-imine?
The InChIKey is WPTKEMPUJZURAG-BIZFVBGRSA-N. The full InChI is InChI=1S/C9H14FN/c1-4-6-8(3)11-7-9(10)5-2/h5,7H,2,4,6H2,1,3H3/b9-7+,11-8+.
What are the key properties of N-[(1E)-2-fluorobuta-1,3-dienyl]pentan-2-imine?
N-[(1E)-2-fluorobuta-1,3-dienyl]pentan-2-imine has a molecular weight of 155.22 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-2-fluorobuta-1,3-dienyl]pentan-2-imine is sourced from PubChem (CID 168972303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).