N-[(4-chloro-2-fluoro-5-methoxyphenyl)methylidene]hydroxylamine

C8H7ClFNO2 — CID 174781678

IUPACN-[(4-chloro-2-fluoro-5-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1cc(C=NO)c(F)cc1Cl
InChIInChI=1S/C8H7ClFNO2/c1-13-8-2-5(4-11-12)7(10)3-6(8)9/h2-4,12H,1H3
InChIKeyBPONMXYJQPJLCI-UHFFFAOYSA-N
MW203.60 g/mol
LogP2.30
Rot. Bonds2

About N-[(4-chloro-2-fluoro-5-methoxyphenyl)methylidene]hydroxylamine

N-[(4-chloro-2-fluoro-5-methoxyphenyl)methylidene]hydroxylamine (PubChem CID 174781678) has the molecular formula C8H7ClFNO2 and a molecular weight of 203.60 g/mol. Its IUPAC name is N-[(4-chloro-2-fluoro-5-methoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluoro-5-methoxyphenyl)methylidene]hydroxylamine
PubChem CID174781678
Molecular FormulaC8H7ClFNO2
Molecular Weight203.60 g/mol
Exact Mass203.01
IUPAC NameN-[(4-chloro-2-fluoro-5-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1cc(C=NO)c(F)cc1Cl
InChIInChI=1S/C8H7ClFNO2/c1-13-8-2-5(4-11-12)7(10)3-6(8)9/h2-4,12H,1H3
InChIKeyBPONMXYJQPJLCI-UHFFFAOYSA-N
XLogP2.30
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.60
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-[(4-chloro-2-fluoro-5-methoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(4-chloro-2-fluoro-5-methoxyphenyl)methylidene]hydroxylamine (CID 174781678) is N-[(4-chloro-2-fluoro-5-methoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(4-chloro-2-fluoro-5-methoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(4-chloro-2-fluoro-5-methoxyphenyl)methylidene]hydroxylamine is COc1cc(C=NO)c(F)cc1Cl.
What is the InChIKey of N-[(4-chloro-2-fluoro-5-methoxyphenyl)methylidene]hydroxylamine?
The InChIKey is BPONMXYJQPJLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO2/c1-13-8-2-5(4-11-12)7(10)3-6(8)9/h2-4,12H,1H3.
What are the key properties of N-[(4-chloro-2-fluoro-5-methoxyphenyl)methylidene]hydroxylamine?
N-[(4-chloro-2-fluoro-5-methoxyphenyl)methylidene]hydroxylamine has a molecular weight of 203.60 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluoro-5-methoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 174781678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).