2-(2,3,4,5,6-pentafluorophenyl)ethanimidamide;hydrochloride

C8H6ClF5N2 — CID 19691433

IUPAC2-(2,3,4,5,6-pentafluorophenyl)ethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H5F5N2.ClH/c9-4-2(1-3(14)15)5(10)7(12)8(13)6(4)11;/h1H2,(H3,14,15);1H
InChIKeyPWEIHTLMFGYQPK-UHFFFAOYSA-N
MW260.59 g/mol
LogP2.28
Rot. Bonds2

About 2-(2,3,4,5,6-pentafluorophenyl)ethanimidamide;hydrochloride

2-(2,3,4,5,6-pentafluorophenyl)ethanimidamide;hydrochloride (PubChem CID 19691433) has the molecular formula C8H6ClF5N2 and a molecular weight of 260.59 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentafluorophenyl)ethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentafluorophenyl)ethanimidamide;hydrochloride
PubChem CID19691433
Molecular FormulaC8H6ClF5N2
Molecular Weight260.59 g/mol
Exact Mass260.01
IUPAC Name2-(2,3,4,5,6-pentafluorophenyl)ethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H5F5N2.ClH/c9-4-2(1-3(14)15)5(10)7(12)8(13)6(4)11;/h1H2,(H3,14,15);1H
InChIKeyPWEIHTLMFGYQPK-UHFFFAOYSA-N
XLogP2.28
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.59
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)ethanimidamide;hydrochloride?
The IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)ethanimidamide;hydrochloride (CID 19691433) is 2-(2,3,4,5,6-pentafluorophenyl)ethanimidamide;hydrochloride.
What is the SMILES notation for 2-(2,3,4,5,6-pentafluorophenyl)ethanimidamide;hydrochloride?
The canonical SMILES for 2-(2,3,4,5,6-pentafluorophenyl)ethanimidamide;hydrochloride is Cl.[H]/N=C(\N)Cc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-(2,3,4,5,6-pentafluorophenyl)ethanimidamide;hydrochloride?
The InChIKey is PWEIHTLMFGYQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5N2.ClH/c9-4-2(1-3(14)15)5(10)7(12)8(13)6(4)11;/h1H2,(H3,14,15);1H.
What are the key properties of 2-(2,3,4,5,6-pentafluorophenyl)ethanimidamide;hydrochloride?
2-(2,3,4,5,6-pentafluorophenyl)ethanimidamide;hydrochloride has a molecular weight of 260.59 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentafluorophenyl)ethanimidamide;hydrochloride is sourced from PubChem (CID 19691433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).