(Z)-2-(3-chloro-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine

C14H9Cl2F2N — CID 70957053

IUPAC(Z)-2-(3-chloro-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine
SMILESN/C(=C\c1cc(F)cc(Cl)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H9Cl2F2N/c15-9-1-2-12(13(18)7-9)14(19)5-8-3-10(16)6-11(17)4-8/h1-7H,19H2/b14-5-
InChIKeyDMKDIFZPABJKPA-RZNTYIFUSA-N
MW300.14 g/mol
LogP4.73
Rot. Bonds2

About (Z)-2-(3-chloro-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine

(Z)-2-(3-chloro-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine (PubChem CID 70957053) has the molecular formula C14H9Cl2F2N and a molecular weight of 300.14 g/mol. Its IUPAC name is (Z)-2-(3-chloro-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine.

Molecular Properties

Compound Name(Z)-2-(3-chloro-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine
PubChem CID70957053
Molecular FormulaC14H9Cl2F2N
Molecular Weight300.14 g/mol
Exact Mass299.01
IUPAC Name(Z)-2-(3-chloro-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine
SMILESN/C(=C\c1cc(F)cc(Cl)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H9Cl2F2N/c15-9-1-2-12(13(18)7-9)14(19)5-8-3-10(16)6-11(17)4-8/h1-7H,19H2/b14-5-
InChIKeyDMKDIFZPABJKPA-RZNTYIFUSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 54.73
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-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine?
The IUPAC name of (Z)-2-(3-chloro-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine (CID 70957053) is (Z)-2-(3-chloro-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine.
What is the SMILES notation for (Z)-2-(3-chloro-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine?
The canonical SMILES for (Z)-2-(3-chloro-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine is N/C(=C\c1cc(F)cc(Cl)c1)c1ccc(Cl)cc1F.
What is the InChIKey of (Z)-2-(3-chloro-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine?
The InChIKey is DMKDIFZPABJKPA-RZNTYIFUSA-N. The full InChI is InChI=1S/C14H9Cl2F2N/c15-9-1-2-12(13(18)7-9)14(19)5-8-3-10(16)6-11(17)4-8/h1-7H,19H2/b14-5-.
What are the key properties of (Z)-2-(3-chloro-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine?
(Z)-2-(3-chloro-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine has a molecular weight of 300.14 g/mol, XLogP of 4.73, 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-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine is sourced from PubChem (CID 70957053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).