(Z)-3-amino-3-(2,4-difluorophenyl)-N-ethenylprop-2-enimidoyl iodide

C11H9F2IN2 — CID 88963468

IUPAC(Z)-3-amino-3-(2,4-difluorophenyl)-N-ethenylprop-2-enimidoyl iodide
SMILESC=C/N=C(I)/C=C(\N)c1ccc(F)cc1F
InChIInChI=1S/C11H9F2IN2/c1-2-16-11(14)6-10(15)8-4-3-7(12)5-9(8)13/h2-6H,1,15H2/b10-6-,16-11-
InChIKeyWZJPUZXPQANEGT-VDJHTXBNSA-N
MW334.11 g/mol
LogP3.24
Rot. Bonds3

About (Z)-3-amino-3-(2,4-difluorophenyl)-N-ethenylprop-2-enimidoyl iodide

(Z)-3-amino-3-(2,4-difluorophenyl)-N-ethenylprop-2-enimidoyl iodide (PubChem CID 88963468) has the molecular formula C11H9F2IN2 and a molecular weight of 334.11 g/mol. Its IUPAC name is (Z)-3-amino-3-(2,4-difluorophenyl)-N-ethenylprop-2-enimidoyl iodide.

Molecular Properties

Compound Name(Z)-3-amino-3-(2,4-difluorophenyl)-N-ethenylprop-2-enimidoyl iodide
PubChem CID88963468
Molecular FormulaC11H9F2IN2
Molecular Weight334.11 g/mol
Exact Mass333.98
IUPAC Name(Z)-3-amino-3-(2,4-difluorophenyl)-N-ethenylprop-2-enimidoyl iodide
SMILESC=C/N=C(I)/C=C(\N)c1ccc(F)cc1F
InChIInChI=1S/C11H9F2IN2/c1-2-16-11(14)6-10(15)8-4-3-7(12)5-9(8)13/h2-6H,1,15H2/b10-6-,16-11-
InChIKeyWZJPUZXPQANEGT-VDJHTXBNSA-N
XLogP3.24
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.11
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-3-(2,4-difluorophenyl)-N-ethenylprop-2-enimidoyl iodide?
The IUPAC name of (Z)-3-amino-3-(2,4-difluorophenyl)-N-ethenylprop-2-enimidoyl iodide (CID 88963468) is (Z)-3-amino-3-(2,4-difluorophenyl)-N-ethenylprop-2-enimidoyl iodide.
What is the SMILES notation for (Z)-3-amino-3-(2,4-difluorophenyl)-N-ethenylprop-2-enimidoyl iodide?
The canonical SMILES for (Z)-3-amino-3-(2,4-difluorophenyl)-N-ethenylprop-2-enimidoyl iodide is C=C/N=C(I)/C=C(\N)c1ccc(F)cc1F.
What is the InChIKey of (Z)-3-amino-3-(2,4-difluorophenyl)-N-ethenylprop-2-enimidoyl iodide?
The InChIKey is WZJPUZXPQANEGT-VDJHTXBNSA-N. The full InChI is InChI=1S/C11H9F2IN2/c1-2-16-11(14)6-10(15)8-4-3-7(12)5-9(8)13/h2-6H,1,15H2/b10-6-,16-11-.
What are the key properties of (Z)-3-amino-3-(2,4-difluorophenyl)-N-ethenylprop-2-enimidoyl iodide?
(Z)-3-amino-3-(2,4-difluorophenyl)-N-ethenylprop-2-enimidoyl iodide has a molecular weight of 334.11 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-3-(2,4-difluorophenyl)-N-ethenylprop-2-enimidoyl iodide is sourced from PubChem (CID 88963468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).