N-[(4-chloro-3-fluorophenyl)methylidene]hydroxylamine;hydrochloride

C7H6Cl2FNO — CID 174826188

IUPACN-[(4-chloro-3-fluorophenyl)methylidene]hydroxylamine;hydrochloride
SMILESCl.ON=Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C7H5ClFNO.ClH/c8-6-2-1-5(4-10-11)3-7(6)9;/h1-4,11H;1H
InChIKeyKUIYWHSSZKVLIL-UHFFFAOYSA-N
MW210.04 g/mol
LogP2.71
Rot. Bonds1

About N-[(4-chloro-3-fluorophenyl)methylidene]hydroxylamine;hydrochloride

N-[(4-chloro-3-fluorophenyl)methylidene]hydroxylamine;hydrochloride (PubChem CID 174826188) has the molecular formula C7H6Cl2FNO and a molecular weight of 210.04 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methylidene]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methylidene]hydroxylamine;hydrochloride
PubChem CID174826188
Molecular FormulaC7H6Cl2FNO
Molecular Weight210.04 g/mol
Exact Mass208.98
IUPAC NameN-[(4-chloro-3-fluorophenyl)methylidene]hydroxylamine;hydrochloride
SMILESCl.ON=Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C7H5ClFNO.ClH/c8-6-2-1-5(4-10-11)3-7(6)9;/h1-4,11H;1H
InChIKeyKUIYWHSSZKVLIL-UHFFFAOYSA-N
XLogP2.71
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.04
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)methylidene]hydroxylamine;hydrochloride?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methylidene]hydroxylamine;hydrochloride (CID 174826188) is N-[(4-chloro-3-fluorophenyl)methylidene]hydroxylamine;hydrochloride.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methylidene]hydroxylamine;hydrochloride?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methylidene]hydroxylamine;hydrochloride is Cl.ON=Cc1ccc(Cl)c(F)c1.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methylidene]hydroxylamine;hydrochloride?
The InChIKey is KUIYWHSSZKVLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFNO.ClH/c8-6-2-1-5(4-10-11)3-7(6)9;/h1-4,11H;1H.
What are the key properties of N-[(4-chloro-3-fluorophenyl)methylidene]hydroxylamine;hydrochloride?
N-[(4-chloro-3-fluorophenyl)methylidene]hydroxylamine;hydrochloride has a molecular weight of 210.04 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)methylidene]hydroxylamine;hydrochloride is sourced from PubChem (CID 174826188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).