(4-fluoroanilino) hypochlorite

C6H5ClFNO — CID 23340958

IUPAC(4-fluoroanilino) hypochlorite
SMILESFc1ccc(NOCl)cc1
InChIInChI=1S/C6H5ClFNO/c7-10-9-6-3-1-5(8)2-4-6/h1-4,9H
InChIKeyPLHQDSBWWPTLCM-UHFFFAOYSA-N
MW161.56 g/mol
LogP2.32
Rot. Bonds2

About (4-fluoroanilino) hypochlorite

(4-fluoroanilino) hypochlorite (PubChem CID 23340958) has the molecular formula C6H5ClFNO and a molecular weight of 161.56 g/mol. Its IUPAC name is (4-fluoroanilino) hypochlorite.

Molecular Properties

Compound Name(4-fluoroanilino) hypochlorite
PubChem CID23340958
Molecular FormulaC6H5ClFNO
Molecular Weight161.56 g/mol
Exact Mass161.00
IUPAC Name(4-fluoroanilino) hypochlorite
SMILESFc1ccc(NOCl)cc1
InChIInChI=1S/C6H5ClFNO/c7-10-9-6-3-1-5(8)2-4-6/h1-4,9H
InChIKeyPLHQDSBWWPTLCM-UHFFFAOYSA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.56
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-fluoroanilino) hypochlorite?
The IUPAC name of (4-fluoroanilino) hypochlorite (CID 23340958) is (4-fluoroanilino) hypochlorite.
What is the SMILES notation for (4-fluoroanilino) hypochlorite?
The canonical SMILES for (4-fluoroanilino) hypochlorite is Fc1ccc(NOCl)cc1.
What is the InChIKey of (4-fluoroanilino) hypochlorite?
The InChIKey is PLHQDSBWWPTLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNO/c7-10-9-6-3-1-5(8)2-4-6/h1-4,9H.
What are the key properties of (4-fluoroanilino) hypochlorite?
(4-fluoroanilino) hypochlorite has a molecular weight of 161.56 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoroanilino) hypochlorite is sourced from PubChem (CID 23340958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).