(2,3,4,5,6-pentafluorophenyl)azanium chloride

C6H3ClF5N — CID 139117031

IUPAC(2,3,4,5,6-pentafluorophenyl)azanium chloride
SMILES[Cl-].[NH3+]c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6H2F5N.ClH/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H2;1H
InChIKeyLJUATFOPEHUPTB-UHFFFAOYSA-N
MW219.54 g/mol
LogP-1.74
Rot. Bonds

About (2,3,4,5,6-pentafluorophenyl)azanium chloride

(2,3,4,5,6-pentafluorophenyl)azanium chloride (PubChem CID 139117031) has the molecular formula C6H3ClF5N and a molecular weight of 219.54 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl)azanium chloride.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl)azanium chloride
PubChem CID139117031
Molecular FormulaC6H3ClF5N
Molecular Weight219.54 g/mol
Exact Mass218.99
IUPAC Name(2,3,4,5,6-pentafluorophenyl)azanium chloride
SMILES[Cl-].[NH3+]c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6H2F5N.ClH/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H2;1H
InChIKeyLJUATFOPEHUPTB-UHFFFAOYSA-N
XLogP-1.74
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.54
LogP ≤ 5-1.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl)azanium chloride?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl)azanium chloride (CID 139117031) is (2,3,4,5,6-pentafluorophenyl)azanium chloride.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl)azanium chloride?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl)azanium chloride is [Cl-].[NH3+]c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl)azanium chloride?
The InChIKey is LJUATFOPEHUPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F5N.ClH/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H2;1H.
What are the key properties of (2,3,4,5,6-pentafluorophenyl)azanium chloride?
(2,3,4,5,6-pentafluorophenyl)azanium chloride has a molecular weight of 219.54 g/mol, XLogP of -1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenyl)azanium chloride is sourced from PubChem (CID 139117031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).