(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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Related Compounds

(Z)-3-amino-3-(2,4-difluorophenyl)-N-ethenylprop-2-enimidoyl iodide
CID 88963468
2,4-difluoro-1-prop-1-en-2-ylbenzene
CID 10877333
acetylene;1,4-difluoro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]benzene
CID 143262022
2,4-difluorobenzenecarbothioamide
CID 2781868
1-but-1-en-2-yl-2,4-difluorobenzene
CID 57095622
(2Z)-1-(2,4-difluorophenyl)penta-2,4-dien-1-imine
CID 59027692
3-(2,4-difluorophenyl)but-3-en-2-ol
CID 23289047
1-(2,4-difluorophenyl)-N-(4-methylphenyl)-3-(4-methylphenyl)sulfanylprop-2-en-1-imine
CID 91010763
1-(2,4-difluorophenyl)-2-(prop-2-enylamino)ethanone
CID 116589743
N'-ethenyl-2-fluoro-4-prop-1-en-2-ylbenzenecarboximidamide
CID 126700818
(E)-5-(2,4-difluorophenyl)-3-methylidenehex-4-en-2-one
CID 166086953
(1Z)-1-(2,4-difluorophenyl)-1-hydroxyiminopropan-2-one
CID 86591919

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).