(NE)-N-[(2-chloro-6-fluoro-4-methoxyphenyl)methylidene]hydroxylamine

C8H7ClFNO2 — CID 169239016

IUPAC(NE)-N-[(2-chloro-6-fluoro-4-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1cc(F)c(/C=N/O)c(Cl)c1
InChIInChI=1S/C8H7ClFNO2/c1-13-5-2-7(9)6(4-11-12)8(10)3-5/h2-4,12H,1H3/b11-4+
InChIKeyKHPYIKLWKFGAJG-NYYWCZLTSA-N
MW203.60 g/mol
LogP2.30
Rot. Bonds2

About (NE)-N-[(2-chloro-6-fluoro-4-methoxyphenyl)methylidene]hydroxylamine

(NE)-N-[(2-chloro-6-fluoro-4-methoxyphenyl)methylidene]hydroxylamine (PubChem CID 169239016) has the molecular formula C8H7ClFNO2 and a molecular weight of 203.60 g/mol. Its IUPAC name is (NE)-N-[(2-chloro-6-fluoro-4-methoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2-chloro-6-fluoro-4-methoxyphenyl)methylidene]hydroxylamine
PubChem CID169239016
Molecular FormulaC8H7ClFNO2
Molecular Weight203.60 g/mol
Exact Mass203.01
IUPAC Name(NE)-N-[(2-chloro-6-fluoro-4-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1cc(F)c(/C=N/O)c(Cl)c1
InChIInChI=1S/C8H7ClFNO2/c1-13-5-2-7(9)6(4-11-12)8(10)3-5/h2-4,12H,1H3/b11-4+
InChIKeyKHPYIKLWKFGAJG-NYYWCZLTSA-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 (NE)-N-[(2-chloro-6-fluoro-4-methoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2-chloro-6-fluoro-4-methoxyphenyl)methylidene]hydroxylamine (CID 169239016) is (NE)-N-[(2-chloro-6-fluoro-4-methoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2-chloro-6-fluoro-4-methoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2-chloro-6-fluoro-4-methoxyphenyl)methylidene]hydroxylamine is COc1cc(F)c(/C=N/O)c(Cl)c1.
What is the InChIKey of (NE)-N-[(2-chloro-6-fluoro-4-methoxyphenyl)methylidene]hydroxylamine?
The InChIKey is KHPYIKLWKFGAJG-NYYWCZLTSA-N. The full InChI is InChI=1S/C8H7ClFNO2/c1-13-5-2-7(9)6(4-11-12)8(10)3-5/h2-4,12H,1H3/b11-4+.
What are the key properties of (NE)-N-[(2-chloro-6-fluoro-4-methoxyphenyl)methylidene]hydroxylamine?
(NE)-N-[(2-chloro-6-fluoro-4-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 (NE)-N-[(2-chloro-6-fluoro-4-methoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 169239016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).