ethane;N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine

C8H14FN — CID 176684239

IUPACethane;N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C\C=C\F.CC
InChIInChI=1S/C6H8FN.C2H6/c1-6(8-2)4-3-5-7;1-2/h3-5H,2H2,1H3;1-2H3/b5-3+,6-4-;
InChIKeyZFKDANNHQQQHJE-LGCFFMJUSA-N
MW143.20 g/mol
LogP3.10
Rot. Bonds2

About ethane;N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine

ethane;N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine (PubChem CID 176684239) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is ethane;N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound Nameethane;N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine
PubChem CID176684239
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Nameethane;N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C\C=C\F.CC
InChIInChI=1S/C6H8FN.C2H6/c1-6(8-2)4-3-5-7;1-2/h3-5H,2H2,1H3;1-2H3/b5-3+,6-4-;
InChIKeyZFKDANNHQQQHJE-LGCFFMJUSA-N
XLogP3.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 53.10
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 ethane;N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine 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-(1,1,1-trifluoropenta-2,4-dien-2-yl)methanimine
CID 91543701
N-[(Z)-1-fluorobut-2-en-2-yl]methanimine
CID 129299402
N-[(2E)-4-fluoropenta-2,4-dien-2-yl]ethenimine
CID 130360998
N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]methanimine
CID 142135069
N-[(2Z)-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine
CID 143072468
N-[(2Z,4Z)-1,1,1-trifluorohexa-2,4-dien-2-yl]methanimine
CID 143435074
N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine
CID 143800417
N-[(2Z,4E)-1,1,1-trifluorohexa-2,4-dien-2-yl]methanimine
CID 144022164
N-[(1Z,3E)-4-fluoropenta-1,3-dienyl]methanimine
CID 144319007
N-[(2Z)-1,1-difluoropenta-2,4-dien-2-yl]methanimine
CID 144753283
N-[(2Z)-1-fluoropenta-2,4-dien-2-yl]methanimine
CID 144753304
N-[(3Z)-2-fluoroocta-1,3-dien-5-yn-4-yl]methanimine
CID 144848748

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine?
The IUPAC name of ethane;N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine (CID 176684239) is ethane;N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine.
What is the SMILES notation for ethane;N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine?
The canonical SMILES for ethane;N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine is C=N/C(C)=C\C=C\F.CC.
What is the InChIKey of ethane;N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine?
The InChIKey is ZFKDANNHQQQHJE-LGCFFMJUSA-N. The full InChI is InChI=1S/C6H8FN.C2H6/c1-6(8-2)4-3-5-7;1-2/h3-5H,2H2,1H3;1-2H3/b5-3+,6-4-;.
What are the key properties of ethane;N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine?
ethane;N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine has a molecular weight of 143.20 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 176684239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).