(Z)-5,5-difluoro-4-iminopent-2-enimidoyl chloride

C5H5ClF2N2 — CID 162573379

IUPAC(Z)-5,5-difluoro-4-iminopent-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C\C(=N\[H])C(F)F
InChIInChI=1S/C5H5ClF2N2/c6-4(10)2-1-3(9)5(7)8/h1-2,5,9-10H/b2-1-,9-3-,10-4-
InChIKeyWSVWMTQGHJOOLW-UVJFPUAFSA-N
MW166.56 g/mol
LogP2.04
Rot. Bonds3

About (Z)-5,5-difluoro-4-iminopent-2-enimidoyl chloride

(Z)-5,5-difluoro-4-iminopent-2-enimidoyl chloride (PubChem CID 162573379) has the molecular formula C5H5ClF2N2 and a molecular weight of 166.56 g/mol. Its IUPAC name is (Z)-5,5-difluoro-4-iminopent-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-5,5-difluoro-4-iminopent-2-enimidoyl chloride
PubChem CID162573379
Molecular FormulaC5H5ClF2N2
Molecular Weight166.56 g/mol
Exact Mass166.01
IUPAC Name(Z)-5,5-difluoro-4-iminopent-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C\C(=N\[H])C(F)F
InChIInChI=1S/C5H5ClF2N2/c6-4(10)2-1-3(9)5(7)8/h1-2,5,9-10H/b2-1-,9-3-,10-4-
InChIKeyWSVWMTQGHJOOLW-UVJFPUAFSA-N
XLogP2.04
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.56
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-5,5-difluoro-4-iminopent-2-enimidoyl chloride?
The IUPAC name of (Z)-5,5-difluoro-4-iminopent-2-enimidoyl chloride (CID 162573379) is (Z)-5,5-difluoro-4-iminopent-2-enimidoyl chloride.
What is the SMILES notation for (Z)-5,5-difluoro-4-iminopent-2-enimidoyl chloride?
The canonical SMILES for (Z)-5,5-difluoro-4-iminopent-2-enimidoyl chloride is [H]/N=C(Cl)/C=C\C(=N\[H])C(F)F.
What is the InChIKey of (Z)-5,5-difluoro-4-iminopent-2-enimidoyl chloride?
The InChIKey is WSVWMTQGHJOOLW-UVJFPUAFSA-N. The full InChI is InChI=1S/C5H5ClF2N2/c6-4(10)2-1-3(9)5(7)8/h1-2,5,9-10H/b2-1-,9-3-,10-4-.
What are the key properties of (Z)-5,5-difluoro-4-iminopent-2-enimidoyl chloride?
(Z)-5,5-difluoro-4-iminopent-2-enimidoyl chloride has a molecular weight of 166.56 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5-difluoro-4-iminopent-2-enimidoyl chloride is sourced from PubChem (CID 162573379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).