(NE)-N-[(4-fluorophenyl)methylidene]hydroxylamine

C7H6FNO — CID 6436078

IUPAC(NE)-N-[(4-fluorophenyl)methylidene]hydroxylamine
SMILESO/N=C/c1ccc(F)cc1
InChIInChI=1S/C7H6FNO/c8-7-3-1-6(2-4-7)5-9-10/h1-5,10H/b9-5+
InChIKeyFSKSLWXDUJVTHE-WEVVVXLNSA-N
MW139.13 g/mol
LogP1.63
Rot. Bonds1

About (NE)-N-[(4-fluorophenyl)methylidene]hydroxylamine

(NE)-N-[(4-fluorophenyl)methylidene]hydroxylamine (PubChem CID 6436078) has the molecular formula C7H6FNO and a molecular weight of 139.13 g/mol. Its IUPAC name is (NE)-N-[(4-fluorophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4-fluorophenyl)methylidene]hydroxylamine
PubChem CID6436078
Molecular FormulaC7H6FNO
Molecular Weight139.13 g/mol
Exact Mass139.04
IUPAC Name(NE)-N-[(4-fluorophenyl)methylidene]hydroxylamine
SMILESO/N=C/c1ccc(F)cc1
InChIInChI=1S/C7H6FNO/c8-7-3-1-6(2-4-7)5-9-10/h1-5,10H/b9-5+
InChIKeyFSKSLWXDUJVTHE-WEVVVXLNSA-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 (NE)-N-[(4-fluorophenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4-fluorophenyl)methylidene]hydroxylamine (CID 6436078) is (NE)-N-[(4-fluorophenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4-fluorophenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4-fluorophenyl)methylidene]hydroxylamine is O/N=C/c1ccc(F)cc1.
What is the InChIKey of (NE)-N-[(4-fluorophenyl)methylidene]hydroxylamine?
The InChIKey is FSKSLWXDUJVTHE-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H6FNO/c8-7-3-1-6(2-4-7)5-9-10/h1-5,10H/b9-5+.
What are the key properties of (NE)-N-[(4-fluorophenyl)methylidene]hydroxylamine?
(NE)-N-[(4-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 (NE)-N-[(4-fluorophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 6436078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).