N-[1-(4-chloro-3-fluorophenyl)-2-methoxyethylidene]hydroxylamine

C9H9ClFNO2 — CID 87837988

IUPACN-[1-(4-chloro-3-fluorophenyl)-2-methoxyethylidene]hydroxylamine
SMILESCOCC(=NO)c1ccc(Cl)c(F)c1
InChIInChI=1S/C9H9ClFNO2/c1-14-5-9(12-13)6-2-3-7(10)8(11)4-6/h2-4,13H,5H2,1H3
InChIKeyKVHMQBYTRDFQBL-UHFFFAOYSA-N
MW217.63 g/mol
LogP2.30
Rot. Bonds3

About N-[1-(4-chloro-3-fluorophenyl)-2-methoxyethylidene]hydroxylamine

N-[1-(4-chloro-3-fluorophenyl)-2-methoxyethylidene]hydroxylamine (PubChem CID 87837988) has the molecular formula C9H9ClFNO2 and a molecular weight of 217.63 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)-2-methoxyethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)-2-methoxyethylidene]hydroxylamine
PubChem CID87837988
Molecular FormulaC9H9ClFNO2
Molecular Weight217.63 g/mol
Exact Mass217.03
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)-2-methoxyethylidene]hydroxylamine
SMILESCOCC(=NO)c1ccc(Cl)c(F)c1
InChIInChI=1S/C9H9ClFNO2/c1-14-5-9(12-13)6-2-3-7(10)8(11)4-6/h2-4,13H,5H2,1H3
InChIKeyKVHMQBYTRDFQBL-UHFFFAOYSA-N
XLogP2.30
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-(4-chloro-3-fluorophenyl)-2-methoxyethylidene]hydroxylamine?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)-2-methoxyethylidene]hydroxylamine (CID 87837988) is N-[1-(4-chloro-3-fluorophenyl)-2-methoxyethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)-2-methoxyethylidene]hydroxylamine?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)-2-methoxyethylidene]hydroxylamine is COCC(=NO)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)-2-methoxyethylidene]hydroxylamine?
The InChIKey is KVHMQBYTRDFQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO2/c1-14-5-9(12-13)6-2-3-7(10)8(11)4-6/h2-4,13H,5H2,1H3.
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)-2-methoxyethylidene]hydroxylamine?
N-[1-(4-chloro-3-fluorophenyl)-2-methoxyethylidene]hydroxylamine has a molecular weight of 217.63 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)-2-methoxyethylidene]hydroxylamine is sourced from PubChem (CID 87837988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).