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

C14H10BrClFN — CID 70957006

IUPAC(Z)-2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine
SMILESN/C(=C\c1cccc(Br)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H10BrClFN/c15-10-3-1-2-9(6-10)7-14(18)12-5-4-11(16)8-13(12)17/h1-8H,18H2/b14-7-
InChIKeyRVLZQJVQBWJJQN-AUWJEWJLSA-N
MW326.60 g/mol
LogP4.70
Rot. Bonds2

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

(Z)-2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine (PubChem CID 70957006) has the molecular formula C14H10BrClFN and a molecular weight of 326.60 g/mol. Its IUPAC name is (Z)-2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine.

Molecular Properties

Compound Name(Z)-2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine
PubChem CID70957006
Molecular FormulaC14H10BrClFN
Molecular Weight326.60 g/mol
Exact Mass324.97
IUPAC Name(Z)-2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine
SMILESN/C(=C\c1cccc(Br)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H10BrClFN/c15-10-3-1-2-9(6-10)7-14(18)12-5-4-11(16)8-13(12)17/h1-8H,18H2/b14-7-
InChIKeyRVLZQJVQBWJJQN-AUWJEWJLSA-N
XLogP4.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.60
LogP ≤ 54.70
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-bromophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine?
The IUPAC name of (Z)-2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine (CID 70957006) is (Z)-2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine.
What is the SMILES notation for (Z)-2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine?
The canonical SMILES for (Z)-2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine is N/C(=C\c1cccc(Br)c1)c1ccc(Cl)cc1F.
What is the InChIKey of (Z)-2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine?
The InChIKey is RVLZQJVQBWJJQN-AUWJEWJLSA-N. The full InChI is InChI=1S/C14H10BrClFN/c15-10-3-1-2-9(6-10)7-14(18)12-5-4-11(16)8-13(12)17/h1-8H,18H2/b14-7-.
What are the key properties of (Z)-2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine?
(Z)-2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine has a molecular weight of 326.60 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)ethenamine is sourced from PubChem (CID 70957006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).