(E)-2-(4-chlorophenyl)-3-fluoroprop-2-en-1-amine;hydrochloride

C9H10Cl2FN — CID 13320117

IUPAC(E)-2-(4-chlorophenyl)-3-fluoroprop-2-en-1-amine;hydrochloride
SMILESCl.NC/C(=C/F)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClFN.ClH/c10-9-3-1-7(2-4-9)8(5-11)6-12;/h1-5H,6,12H2;1H/b8-5-;
InChIKeyWYPZNQXAHYDNNA-HGKIGUAWSA-N
MW222.09 g/mol
LogP3.03
Rot. Bonds2

About (E)-2-(4-chlorophenyl)-3-fluoroprop-2-en-1-amine;hydrochloride

(E)-2-(4-chlorophenyl)-3-fluoroprop-2-en-1-amine;hydrochloride (PubChem CID 13320117) has the molecular formula C9H10Cl2FN and a molecular weight of 222.09 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-3-fluoroprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-3-fluoroprop-2-en-1-amine;hydrochloride
PubChem CID13320117
Molecular FormulaC9H10Cl2FN
Molecular Weight222.09 g/mol
Exact Mass221.02
IUPAC Name(E)-2-(4-chlorophenyl)-3-fluoroprop-2-en-1-amine;hydrochloride
SMILESCl.NC/C(=C/F)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClFN.ClH/c10-9-3-1-7(2-4-9)8(5-11)6-12;/h1-5H,6,12H2;1H/b8-5-;
InChIKeyWYPZNQXAHYDNNA-HGKIGUAWSA-N
XLogP3.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.09
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-3-fluoroprop-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-2-(4-chlorophenyl)-3-fluoroprop-2-en-1-amine;hydrochloride (CID 13320117) is (E)-2-(4-chlorophenyl)-3-fluoroprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-3-fluoroprop-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-2-(4-chlorophenyl)-3-fluoroprop-2-en-1-amine;hydrochloride is Cl.NC/C(=C/F)c1ccc(Cl)cc1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-3-fluoroprop-2-en-1-amine;hydrochloride?
The InChIKey is WYPZNQXAHYDNNA-HGKIGUAWSA-N. The full InChI is InChI=1S/C9H9ClFN.ClH/c10-9-3-1-7(2-4-9)8(5-11)6-12;/h1-5H,6,12H2;1H/b8-5-;.
What are the key properties of (E)-2-(4-chlorophenyl)-3-fluoroprop-2-en-1-amine;hydrochloride?
(E)-2-(4-chlorophenyl)-3-fluoroprop-2-en-1-amine;hydrochloride has a molecular weight of 222.09 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-3-fluoroprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 13320117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).