ethane;(Z)-N-(1-fluoroethenyl)but-3-en-2-imine

C8H14FN — CID 155698572

IUPACethane;(Z)-N-(1-fluoroethenyl)but-3-en-2-imine
SMILESC=C/C(C)=N\C(=C)F.CC
InChIInChI=1S/C6H8FN.C2H6/c1-4-5(2)8-6(3)7;1-2/h4H,1,3H2,2H3;1-2H3/b8-5-;
InChIKeyLAVUIUAPYNEHNH-HGKIGUAWSA-N
MW143.20 g/mol
LogP3.10
Rot. Bonds2

About ethane;(Z)-N-(1-fluoroethenyl)but-3-en-2-imine

ethane;(Z)-N-(1-fluoroethenyl)but-3-en-2-imine (PubChem CID 155698572) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is ethane;(Z)-N-(1-fluoroethenyl)but-3-en-2-imine.

Molecular Properties

Compound Nameethane;(Z)-N-(1-fluoroethenyl)but-3-en-2-imine
PubChem CID155698572
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Nameethane;(Z)-N-(1-fluoroethenyl)but-3-en-2-imine
SMILESC=C/C(C)=N\C(=C)F.CC
InChIInChI=1S/C6H8FN.C2H6/c1-4-5(2)8-6(3)7;1-2/h4H,1,3H2,2H3;1-2H3/b8-5-;
InChIKeyLAVUIUAPYNEHNH-HGKIGUAWSA-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': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(1-fluoroethenyl)-4-methylpent-1-en-3-imine
CID 142378559
N-ethenyl-3-fluorobut-3-en-2-imine
CID 143330416
ethane;1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine
CID 143548562
1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine
CID 143548563
(Z)-N-(1-fluoroethenyl)but-3-en-2-imine
CID 143794064
(Z,E)-4-fluoro-N-(1-fluoroethenyl)but-3-en-2-imine
CID 143838516
N-ethenyl-1-fluorobut-3-en-2-imine
CID 143843932
N-(3,3,3-trifluoroprop-1-en-2-yl)but-3-en-2-imine
CID 144251803
3-fluoro-N-prop-1-en-2-ylbut-3-en-2-imine
CID 163389160
N-[(E)-1-fluorobut-1-enyl]propan-2-imine
CID 166684433
N-[(3E)-3-fluoropenta-1,3-dien-2-yl]but-3-en-2-imine
CID 167092326
N-but-1-en-2-ylprop-2-enimidoyl fluoride
CID 177956694

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-(1-fluoroethenyl)but-3-en-2-imine?
The IUPAC name of ethane;(Z)-N-(1-fluoroethenyl)but-3-en-2-imine (CID 155698572) is ethane;(Z)-N-(1-fluoroethenyl)but-3-en-2-imine.
What is the SMILES notation for ethane;(Z)-N-(1-fluoroethenyl)but-3-en-2-imine?
The canonical SMILES for ethane;(Z)-N-(1-fluoroethenyl)but-3-en-2-imine is C=C/C(C)=N\C(=C)F.CC.
What is the InChIKey of ethane;(Z)-N-(1-fluoroethenyl)but-3-en-2-imine?
The InChIKey is LAVUIUAPYNEHNH-HGKIGUAWSA-N. The full InChI is InChI=1S/C6H8FN.C2H6/c1-4-5(2)8-6(3)7;1-2/h4H,1,3H2,2H3;1-2H3/b8-5-;.
What are the key properties of ethane;(Z)-N-(1-fluoroethenyl)but-3-en-2-imine?
ethane;(Z)-N-(1-fluoroethenyl)but-3-en-2-imine 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;(Z)-N-(1-fluoroethenyl)but-3-en-2-imine is sourced from PubChem (CID 155698572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).