ethane;N-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]methanimine

C10H20FN — CID 143723031

IUPACethane;N-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]methanimine
SMILESC=N/C(F)=C\C(=C)C.CC.CC
InChIInChI=1S/C6H8FN.2C2H6/c1-5(2)4-6(7)8-3;2*1-2/h4H,1,3H2,2H3;2*1-2H3/b6-4-;;
InChIKeyUUOWDGISURYTTF-XFUGJFOESA-N
MW173.27 g/mol
LogP4.13
Rot. Bonds2

About ethane;N-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]methanimine

ethane;N-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]methanimine (PubChem CID 143723031) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is ethane;N-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]methanimine.

Molecular Properties

Compound Nameethane;N-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]methanimine
PubChem CID143723031
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Nameethane;N-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]methanimine
SMILESC=N/C(F)=C\C(=C)C.CC.CC
InChIInChI=1S/C6H8FN.2C2H6/c1-5(2)4-6(7)8-3;2*1-2/h4H,1,3H2,2H3;2*1-2H3/b6-4-;;
InChIKeyUUOWDGISURYTTF-XFUGJFOESA-N
XLogP4.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]methanimine?
The IUPAC name of ethane;N-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]methanimine (CID 143723031) is ethane;N-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]methanimine.
What is the SMILES notation for ethane;N-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]methanimine?
The canonical SMILES for ethane;N-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]methanimine is C=N/C(F)=C\C(=C)C.CC.CC.
What is the InChIKey of ethane;N-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]methanimine?
The InChIKey is UUOWDGISURYTTF-XFUGJFOESA-N. The full InChI is InChI=1S/C6H8FN.2C2H6/c1-5(2)4-6(7)8-3;2*1-2/h4H,1,3H2,2H3;2*1-2H3/b6-4-;;.
What are the key properties of ethane;N-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]methanimine?
ethane;N-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]methanimine has a molecular weight of 173.27 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]methanimine is sourced from PubChem (CID 143723031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).