(3-chloro-2-fluorophenyl)azanium

C6H6ClFN+ — CID 144971362

IUPAC(3-chloro-2-fluorophenyl)azanium
SMILES[NH3+]c1cccc(Cl)c1F
InChIInChI=1S/C6H5ClFN/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2/p+1
InChIKeyXWBTZHDDWRNOQH-UHFFFAOYSA-O
MW146.57 g/mol
LogP1.35
Rot. Bonds

About (3-chloro-2-fluorophenyl)azanium

(3-chloro-2-fluorophenyl)azanium (PubChem CID 144971362) has the molecular formula C6H6ClFN+ and a molecular weight of 146.57 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)azanium.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)azanium
PubChem CID144971362
Molecular FormulaC6H6ClFN+
Molecular Weight146.57 g/mol
Exact Mass146.02
IUPAC Name(3-chloro-2-fluorophenyl)azanium
SMILES[NH3+]c1cccc(Cl)c1F
InChIInChI=1S/C6H5ClFN/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2/p+1
InChIKeyXWBTZHDDWRNOQH-UHFFFAOYSA-O
XLogP1.35
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.57
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)azanium?
The IUPAC name of (3-chloro-2-fluorophenyl)azanium (CID 144971362) is (3-chloro-2-fluorophenyl)azanium.
What is the SMILES notation for (3-chloro-2-fluorophenyl)azanium?
The canonical SMILES for (3-chloro-2-fluorophenyl)azanium is [NH3+]c1cccc(Cl)c1F.
What is the InChIKey of (3-chloro-2-fluorophenyl)azanium?
The InChIKey is XWBTZHDDWRNOQH-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H5ClFN/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2/p+1.
What are the key properties of (3-chloro-2-fluorophenyl)azanium?
(3-chloro-2-fluorophenyl)azanium has a molecular weight of 146.57 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)azanium is sourced from PubChem (CID 144971362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).