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

C14H8Cl2F3N — CID 70957027

IUPAC(Z)-1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-2-fluorophenyl)ethenamine
SMILESN/C(=C\c1cccc(Cl)c1F)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H8Cl2F3N/c15-9-3-1-2-7(14(9)19)4-13(20)8-5-12(18)10(16)6-11(8)17/h1-6H,20H2/b13-4-
InChIKeyDCGQCXIBFCXRMS-PQMHYQBVSA-N
MW318.13 g/mol
LogP4.87
Rot. Bonds2

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

(Z)-1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-2-fluorophenyl)ethenamine (PubChem CID 70957027) has the molecular formula C14H8Cl2F3N and a molecular weight of 318.13 g/mol. Its IUPAC name is (Z)-1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-2-fluorophenyl)ethenamine.

Molecular Properties

Compound Name(Z)-1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-2-fluorophenyl)ethenamine
PubChem CID70957027
Molecular FormulaC14H8Cl2F3N
Molecular Weight318.13 g/mol
Exact Mass317.00
IUPAC Name(Z)-1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-2-fluorophenyl)ethenamine
SMILESN/C(=C\c1cccc(Cl)c1F)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H8Cl2F3N/c15-9-3-1-2-7(14(9)19)4-13(20)8-5-12(18)10(16)6-11(8)17/h1-6H,20H2/b13-4-
InChIKeyDCGQCXIBFCXRMS-PQMHYQBVSA-N
XLogP4.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-2-fluorophenyl)ethenamine?
The IUPAC name of (Z)-1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-2-fluorophenyl)ethenamine (CID 70957027) is (Z)-1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-2-fluorophenyl)ethenamine.
What is the SMILES notation for (Z)-1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-2-fluorophenyl)ethenamine?
The canonical SMILES for (Z)-1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-2-fluorophenyl)ethenamine is N/C(=C\c1cccc(Cl)c1F)c1cc(F)c(Cl)cc1F.
What is the InChIKey of (Z)-1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-2-fluorophenyl)ethenamine?
The InChIKey is DCGQCXIBFCXRMS-PQMHYQBVSA-N. The full InChI is InChI=1S/C14H8Cl2F3N/c15-9-3-1-2-7(14(9)19)4-13(20)8-5-12(18)10(16)6-11(8)17/h1-6H,20H2/b13-4-.
What are the key properties of (Z)-1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-2-fluorophenyl)ethenamine?
(Z)-1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-2-fluorophenyl)ethenamine has a molecular weight of 318.13 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-2-fluorophenyl)ethenamine is sourced from PubChem (CID 70957027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).