(Z)-2-(3-chloro-2-fluorophenyl)-1-(4-chloro-2-methylphenyl)ethenamine

C15H12Cl2FN — CID 70957036

IUPAC(Z)-2-(3-chloro-2-fluorophenyl)-1-(4-chloro-2-methylphenyl)ethenamine
SMILESCc1cc(Cl)ccc1/C(N)=C/c1cccc(Cl)c1F
InChIInChI=1S/C15H12Cl2FN/c1-9-7-11(16)5-6-12(9)14(19)8-10-3-2-4-13(17)15(10)18/h2-8H,19H2,1H3/b14-8-
InChIKeyQEDVXBZSOAIJKQ-ZSOIEALJSA-N
MW296.17 g/mol
LogP4.90
Rot. Bonds2

About (Z)-2-(3-chloro-2-fluorophenyl)-1-(4-chloro-2-methylphenyl)ethenamine

(Z)-2-(3-chloro-2-fluorophenyl)-1-(4-chloro-2-methylphenyl)ethenamine (PubChem CID 70957036) has the molecular formula C15H12Cl2FN and a molecular weight of 296.17 g/mol. Its IUPAC name is (Z)-2-(3-chloro-2-fluorophenyl)-1-(4-chloro-2-methylphenyl)ethenamine.

Molecular Properties

Compound Name(Z)-2-(3-chloro-2-fluorophenyl)-1-(4-chloro-2-methylphenyl)ethenamine
PubChem CID70957036
Molecular FormulaC15H12Cl2FN
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name(Z)-2-(3-chloro-2-fluorophenyl)-1-(4-chloro-2-methylphenyl)ethenamine
SMILESCc1cc(Cl)ccc1/C(N)=C/c1cccc(Cl)c1F
InChIInChI=1S/C15H12Cl2FN/c1-9-7-11(16)5-6-12(9)14(19)8-10-3-2-4-13(17)15(10)18/h2-8H,19H2,1H3/b14-8-
InChIKeyQEDVXBZSOAIJKQ-ZSOIEALJSA-N
XLogP4.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3-chloro-2-fluorophenyl)-1-(4-chloro-2-methylphenyl)ethenamine?
The IUPAC name of (Z)-2-(3-chloro-2-fluorophenyl)-1-(4-chloro-2-methylphenyl)ethenamine (CID 70957036) is (Z)-2-(3-chloro-2-fluorophenyl)-1-(4-chloro-2-methylphenyl)ethenamine.
What is the SMILES notation for (Z)-2-(3-chloro-2-fluorophenyl)-1-(4-chloro-2-methylphenyl)ethenamine?
The canonical SMILES for (Z)-2-(3-chloro-2-fluorophenyl)-1-(4-chloro-2-methylphenyl)ethenamine is Cc1cc(Cl)ccc1/C(N)=C/c1cccc(Cl)c1F.
What is the InChIKey of (Z)-2-(3-chloro-2-fluorophenyl)-1-(4-chloro-2-methylphenyl)ethenamine?
The InChIKey is QEDVXBZSOAIJKQ-ZSOIEALJSA-N. The full InChI is InChI=1S/C15H12Cl2FN/c1-9-7-11(16)5-6-12(9)14(19)8-10-3-2-4-13(17)15(10)18/h2-8H,19H2,1H3/b14-8-.
What are the key properties of (Z)-2-(3-chloro-2-fluorophenyl)-1-(4-chloro-2-methylphenyl)ethenamine?
(Z)-2-(3-chloro-2-fluorophenyl)-1-(4-chloro-2-methylphenyl)ethenamine has a molecular weight of 296.17 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3-chloro-2-fluorophenyl)-1-(4-chloro-2-methylphenyl)ethenamine is sourced from PubChem (CID 70957036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).