N-[(3-fluoro-5-methoxyphenyl)methylidene]hydroxylamine

C8H8FNO2 — CID 163231352

IUPACN-[(3-fluoro-5-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1cc(F)cc(C=NO)c1
InChIInChI=1S/C8H8FNO2/c1-12-8-3-6(5-10-11)2-7(9)4-8/h2-5,11H,1H3
InChIKeyVUHXWRGUPYOADF-UHFFFAOYSA-N
MW169.16 g/mol
LogP1.64
Rot. Bonds2

About N-[(3-fluoro-5-methoxyphenyl)methylidene]hydroxylamine

N-[(3-fluoro-5-methoxyphenyl)methylidene]hydroxylamine (PubChem CID 163231352) has the molecular formula C8H8FNO2 and a molecular weight of 169.16 g/mol. Its IUPAC name is N-[(3-fluoro-5-methoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(3-fluoro-5-methoxyphenyl)methylidene]hydroxylamine
PubChem CID163231352
Molecular FormulaC8H8FNO2
Molecular Weight169.16 g/mol
Exact Mass169.05
IUPAC NameN-[(3-fluoro-5-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1cc(F)cc(C=NO)c1
InChIInChI=1S/C8H8FNO2/c1-12-8-3-6(5-10-11)2-7(9)4-8/h2-5,11H,1H3
InChIKeyVUHXWRGUPYOADF-UHFFFAOYSA-N
XLogP1.64
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 51.64
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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Related Compounds

3-(3-fluoro-5-methoxyphenyl)prop-2-enenitrile
CID 169483342
N-[(3-methoxy-5-nitrophenyl)methylidene]hydroxylamine
CID 172625763
(NE)-N-[(3-chloro-5-fluorophenyl)methylidene]hydroxylamine
CID 114454695
N-[(5-methoxy-3-pyridinyl)methylidene]hydroxylamine
CID 57363090
(NZ)-N-[(4-methoxy-3,5-dimethylphenyl)methylidene]hydroxylamine
CID 87388843
(NE)-N-[(4-methoxy-3,5-dimethylphenyl)methylidene]hydroxylamine
CID 58938988
(NE)-N-[(2-chloro-6-fluoro-4-methoxyphenyl)methylidene]hydroxylamine
CID 169239016
(NZ)-N-[[3-(4-methoxyphenoxy)phenyl]methylidene]hydroxylamine
CID 59496691
(3,5-dimethoxyphenyl)methylidenehydrazine
CID 131871774
N-[(3-fluoro-4-methoxyphenyl)methylidene]hydroxylamine
CID 74061800
N-[(3,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 2641916
CID 58361867
CID 58361867

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-5-methoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(3-fluoro-5-methoxyphenyl)methylidene]hydroxylamine (CID 163231352) is N-[(3-fluoro-5-methoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(3-fluoro-5-methoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(3-fluoro-5-methoxyphenyl)methylidene]hydroxylamine is COc1cc(F)cc(C=NO)c1.
What is the InChIKey of N-[(3-fluoro-5-methoxyphenyl)methylidene]hydroxylamine?
The InChIKey is VUHXWRGUPYOADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2/c1-12-8-3-6(5-10-11)2-7(9)4-8/h2-5,11H,1H3.
What are the key properties of N-[(3-fluoro-5-methoxyphenyl)methylidene]hydroxylamine?
N-[(3-fluoro-5-methoxyphenyl)methylidene]hydroxylamine has a molecular weight of 169.16 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-5-methoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 163231352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).