(Z)-1-(2,4-difluorophenyl)-N-ethenylbut-2-en-1-imine

C12H11F2N — CID 142896113

IUPAC(Z)-1-(2,4-difluorophenyl)-N-ethenylbut-2-en-1-imine
SMILESC=C/N=C(\C=C/C)c1ccc(F)cc1F
InChIInChI=1S/C12H11F2N/c1-3-5-12(15-4-2)10-7-6-9(13)8-11(10)14/h3-8H,2H2,1H3/b5-3-,15-12+
InChIKeyXXBKQVXWLWJXKK-HJGNFNJESA-N
MW207.22 g/mol
LogP3.47
Rot. Bonds3

About (Z)-1-(2,4-difluorophenyl)-N-ethenylbut-2-en-1-imine

(Z)-1-(2,4-difluorophenyl)-N-ethenylbut-2-en-1-imine (PubChem CID 142896113) has the molecular formula C12H11F2N and a molecular weight of 207.22 g/mol. Its IUPAC name is (Z)-1-(2,4-difluorophenyl)-N-ethenylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-1-(2,4-difluorophenyl)-N-ethenylbut-2-en-1-imine
PubChem CID142896113
Molecular FormulaC12H11F2N
Molecular Weight207.22 g/mol
Exact Mass207.09
IUPAC Name(Z)-1-(2,4-difluorophenyl)-N-ethenylbut-2-en-1-imine
SMILESC=C/N=C(\C=C/C)c1ccc(F)cc1F
InChIInChI=1S/C12H11F2N/c1-3-5-12(15-4-2)10-7-6-9(13)8-11(10)14/h3-8H,2H2,1H3/b5-3-,15-12+
InChIKeyXXBKQVXWLWJXKK-HJGNFNJESA-N
XLogP3.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2,4-difluorophenyl)-N-ethenylbut-2-en-1-imine?
The IUPAC name of (Z)-1-(2,4-difluorophenyl)-N-ethenylbut-2-en-1-imine (CID 142896113) is (Z)-1-(2,4-difluorophenyl)-N-ethenylbut-2-en-1-imine.
What is the SMILES notation for (Z)-1-(2,4-difluorophenyl)-N-ethenylbut-2-en-1-imine?
The canonical SMILES for (Z)-1-(2,4-difluorophenyl)-N-ethenylbut-2-en-1-imine is C=C/N=C(\C=C/C)c1ccc(F)cc1F.
What is the InChIKey of (Z)-1-(2,4-difluorophenyl)-N-ethenylbut-2-en-1-imine?
The InChIKey is XXBKQVXWLWJXKK-HJGNFNJESA-N. The full InChI is InChI=1S/C12H11F2N/c1-3-5-12(15-4-2)10-7-6-9(13)8-11(10)14/h3-8H,2H2,1H3/b5-3-,15-12+.
What are the key properties of (Z)-1-(2,4-difluorophenyl)-N-ethenylbut-2-en-1-imine?
(Z)-1-(2,4-difluorophenyl)-N-ethenylbut-2-en-1-imine has a molecular weight of 207.22 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2,4-difluorophenyl)-N-ethenylbut-2-en-1-imine is sourced from PubChem (CID 142896113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).