(Z)-N-tert-butyl-2,4-dichlorobut-2-en-1-imine

C8H13Cl2N — CID 10702956

IUPAC(Z)-N-tert-butyl-2,4-dichlorobut-2-en-1-imine
SMILESCC(C)(C)/N=C/C(Cl)=C/CCl
InChIInChI=1S/C8H13Cl2N/c1-8(2,3)11-6-7(10)4-5-9/h4,6H,5H2,1-3H3/b7-4-,11-6+
InChIKeyFJYIMJVONHINPL-MBHGMHKNSA-N
MW194.10 g/mol
LogP3.22
Rot. Bonds2

About (Z)-N-tert-butyl-2,4-dichlorobut-2-en-1-imine

(Z)-N-tert-butyl-2,4-dichlorobut-2-en-1-imine (PubChem CID 10702956) has the molecular formula C8H13Cl2N and a molecular weight of 194.10 g/mol. Its IUPAC name is (Z)-N-tert-butyl-2,4-dichlorobut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-tert-butyl-2,4-dichlorobut-2-en-1-imine
PubChem CID10702956
Molecular FormulaC8H13Cl2N
Molecular Weight194.10 g/mol
Exact Mass193.04
IUPAC Name(Z)-N-tert-butyl-2,4-dichlorobut-2-en-1-imine
SMILESCC(C)(C)/N=C/C(Cl)=C/CCl
InChIInChI=1S/C8H13Cl2N/c1-8(2,3)11-6-7(10)4-5-9/h4,6H,5H2,1-3H3/b7-4-,11-6+
InChIKeyFJYIMJVONHINPL-MBHGMHKNSA-N
XLogP3.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.10
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-tert-butyl-2,4-dichlorobut-2-en-1-imine?
The IUPAC name of (Z)-N-tert-butyl-2,4-dichlorobut-2-en-1-imine (CID 10702956) is (Z)-N-tert-butyl-2,4-dichlorobut-2-en-1-imine.
What is the SMILES notation for (Z)-N-tert-butyl-2,4-dichlorobut-2-en-1-imine?
The canonical SMILES for (Z)-N-tert-butyl-2,4-dichlorobut-2-en-1-imine is CC(C)(C)/N=C/C(Cl)=C/CCl.
What is the InChIKey of (Z)-N-tert-butyl-2,4-dichlorobut-2-en-1-imine?
The InChIKey is FJYIMJVONHINPL-MBHGMHKNSA-N. The full InChI is InChI=1S/C8H13Cl2N/c1-8(2,3)11-6-7(10)4-5-9/h4,6H,5H2,1-3H3/b7-4-,11-6+.
What are the key properties of (Z)-N-tert-butyl-2,4-dichlorobut-2-en-1-imine?
(Z)-N-tert-butyl-2,4-dichlorobut-2-en-1-imine has a molecular weight of 194.10 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-tert-butyl-2,4-dichlorobut-2-en-1-imine is sourced from PubChem (CID 10702956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).