(NE)-N-[(2,4,6-trifluorophenyl)methylidene]hydroxylamine

C7H4F3NO — CID 171366265

IUPAC(NE)-N-[(2,4,6-trifluorophenyl)methylidene]hydroxylamine
SMILESO/N=C/c1c(F)cc(F)cc1F
InChIInChI=1S/C7H4F3NO/c8-4-1-6(9)5(3-11-12)7(10)2-4/h1-3,12H/b11-3+
InChIKeyHKCRLMBQNONQQI-QDEBKDIKSA-N
MW175.11 g/mol
LogP1.91
Rot. Bonds1

About (NE)-N-[(2,4,6-trifluorophenyl)methylidene]hydroxylamine

(NE)-N-[(2,4,6-trifluorophenyl)methylidene]hydroxylamine (PubChem CID 171366265) has the molecular formula C7H4F3NO and a molecular weight of 175.11 g/mol. Its IUPAC name is (NE)-N-[(2,4,6-trifluorophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2,4,6-trifluorophenyl)methylidene]hydroxylamine
PubChem CID171366265
Molecular FormulaC7H4F3NO
Molecular Weight175.11 g/mol
Exact Mass175.02
IUPAC Name(NE)-N-[(2,4,6-trifluorophenyl)methylidene]hydroxylamine
SMILESO/N=C/c1c(F)cc(F)cc1F
InChIInChI=1S/C7H4F3NO/c8-4-1-6(9)5(3-11-12)7(10)2-4/h1-3,12H/b11-3+
InChIKeyHKCRLMBQNONQQI-QDEBKDIKSA-N
XLogP1.91
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.11
LogP ≤ 51.91
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-[(2,4,6-trifluorophenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2,4,6-trifluorophenyl)methylidene]hydroxylamine (CID 171366265) is (NE)-N-[(2,4,6-trifluorophenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2,4,6-trifluorophenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2,4,6-trifluorophenyl)methylidene]hydroxylamine is O/N=C/c1c(F)cc(F)cc1F.
What is the InChIKey of (NE)-N-[(2,4,6-trifluorophenyl)methylidene]hydroxylamine?
The InChIKey is HKCRLMBQNONQQI-QDEBKDIKSA-N. The full InChI is InChI=1S/C7H4F3NO/c8-4-1-6(9)5(3-11-12)7(10)2-4/h1-3,12H/b11-3+.
What are the key properties of (NE)-N-[(2,4,6-trifluorophenyl)methylidene]hydroxylamine?
(NE)-N-[(2,4,6-trifluorophenyl)methylidene]hydroxylamine has a molecular weight of 175.11 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2,4,6-trifluorophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 171366265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).