N-[(2-fluorophenyl)methylidene]hydroxylamine

C7H6FNO — CID 587025

IUPACN-[(2-fluorophenyl)methylidene]hydroxylamine
SMILESON=Cc1ccccc1F
InChIInChI=1S/C7H6FNO/c8-7-4-2-1-3-6(7)5-9-10/h1-5,10H
InChIKeyYPVOCNRPBFPDLO-UHFFFAOYSA-N
MW139.13 g/mol
LogP1.63
Rot. Bonds1

About N-[(2-fluorophenyl)methylidene]hydroxylamine

N-[(2-fluorophenyl)methylidene]hydroxylamine (PubChem CID 587025) has the molecular formula C7H6FNO and a molecular weight of 139.13 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methylidene]hydroxylamine
PubChem CID587025
Molecular FormulaC7H6FNO
Molecular Weight139.13 g/mol
Exact Mass139.04
IUPAC NameN-[(2-fluorophenyl)methylidene]hydroxylamine
SMILESON=Cc1ccccc1F
InChIInChI=1S/C7H6FNO/c8-7-4-2-1-3-6(7)5-9-10/h1-5,10H
InChIKeyYPVOCNRPBFPDLO-UHFFFAOYSA-N
XLogP1.63
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.13
LogP ≤ 51.63
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-[(2-fluorophenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(2-fluorophenyl)methylidene]hydroxylamine (CID 587025) is N-[(2-fluorophenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2-fluorophenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2-fluorophenyl)methylidene]hydroxylamine is ON=Cc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methylidene]hydroxylamine?
The InChIKey is YPVOCNRPBFPDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO/c8-7-4-2-1-3-6(7)5-9-10/h1-5,10H.
What are the key properties of N-[(2-fluorophenyl)methylidene]hydroxylamine?
N-[(2-fluorophenyl)methylidene]hydroxylamine has a molecular weight of 139.13 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 587025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).