2,2,4,4-tetrachloro-3-phenyl-N-propan-2-ylcyclobutan-1-imine

C13H13Cl4N — CID 11438744

IUPAC2,2,4,4-tetrachloro-3-phenyl-N-propan-2-ylcyclobutan-1-imine
SMILESCC(C)N=C1C(Cl)(Cl)C(c2ccccc2)C1(Cl)Cl
InChIInChI=1S/C13H13Cl4N/c1-8(2)18-11-12(14,15)10(13(11,16)17)9-6-4-3-5-7-9/h3-8,10H,1-2H3/b18-11-
InChIKeyZIYDXGWKFGPLFG-WQRHYEAKSA-N
MW325.07 g/mol
LogP4.98
Rot. Bonds2

About 2,2,4,4-tetrachloro-3-phenyl-N-propan-2-ylcyclobutan-1-imine

2,2,4,4-tetrachloro-3-phenyl-N-propan-2-ylcyclobutan-1-imine (PubChem CID 11438744) has the molecular formula C13H13Cl4N and a molecular weight of 325.07 g/mol. Its IUPAC name is 2,2,4,4-tetrachloro-3-phenyl-N-propan-2-ylcyclobutan-1-imine.

Molecular Properties

Compound Name2,2,4,4-tetrachloro-3-phenyl-N-propan-2-ylcyclobutan-1-imine
PubChem CID11438744
Molecular FormulaC13H13Cl4N
Molecular Weight325.07 g/mol
Exact Mass322.98
IUPAC Name2,2,4,4-tetrachloro-3-phenyl-N-propan-2-ylcyclobutan-1-imine
SMILESCC(C)N=C1C(Cl)(Cl)C(c2ccccc2)C1(Cl)Cl
InChIInChI=1S/C13H13Cl4N/c1-8(2)18-11-12(14,15)10(13(11,16)17)9-6-4-3-5-7-9/h3-8,10H,1-2H3/b18-11-
InChIKeyZIYDXGWKFGPLFG-WQRHYEAKSA-N
XLogP4.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.07
LogP ≤ 54.98
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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Related Compounds

trans-(1R,3S)-2,2-dichloro-1-methyl-3-phenylcyclopropane-1-carbonyl chloride
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3-phenyl-N-propan-2-yl-2,4,4-tri(propan-2-yloxy)cyclobut-2-en-1-imine
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CID 71317214
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CID 70549664
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CID 16687987
6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione
CID 59370437
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CID 174869067
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CID 157220369
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CID 12622625

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetrachloro-3-phenyl-N-propan-2-ylcyclobutan-1-imine?
The IUPAC name of 2,2,4,4-tetrachloro-3-phenyl-N-propan-2-ylcyclobutan-1-imine (CID 11438744) is 2,2,4,4-tetrachloro-3-phenyl-N-propan-2-ylcyclobutan-1-imine.
What is the SMILES notation for 2,2,4,4-tetrachloro-3-phenyl-N-propan-2-ylcyclobutan-1-imine?
The canonical SMILES for 2,2,4,4-tetrachloro-3-phenyl-N-propan-2-ylcyclobutan-1-imine is CC(C)N=C1C(Cl)(Cl)C(c2ccccc2)C1(Cl)Cl.
What is the InChIKey of 2,2,4,4-tetrachloro-3-phenyl-N-propan-2-ylcyclobutan-1-imine?
The InChIKey is ZIYDXGWKFGPLFG-WQRHYEAKSA-N. The full InChI is InChI=1S/C13H13Cl4N/c1-8(2)18-11-12(14,15)10(13(11,16)17)9-6-4-3-5-7-9/h3-8,10H,1-2H3/b18-11-.
What are the key properties of 2,2,4,4-tetrachloro-3-phenyl-N-propan-2-ylcyclobutan-1-imine?
2,2,4,4-tetrachloro-3-phenyl-N-propan-2-ylcyclobutan-1-imine has a molecular weight of 325.07 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetrachloro-3-phenyl-N-propan-2-ylcyclobutan-1-imine is sourced from PubChem (CID 11438744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).