(NE)-N-[[2-(trifluoromethyl)phenyl]methylidene]hydroxylamine

C8H6F3NO — CID 6868090

IUPAC(NE)-N-[[2-(trifluoromethyl)phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1ccccc1C(F)(F)F
InChIInChI=1S/C8H6F3NO/c9-8(10,11)7-4-2-1-3-6(7)5-12-13/h1-5,13H/b12-5+
InChIKeyGBZLIAANNYDSOB-LFYBBSHMSA-N
MW189.14 g/mol
LogP2.51
Rot. Bonds1

About (NE)-N-[[2-(trifluoromethyl)phenyl]methylidene]hydroxylamine

(NE)-N-[[2-(trifluoromethyl)phenyl]methylidene]hydroxylamine (PubChem CID 6868090) has the molecular formula C8H6F3NO and a molecular weight of 189.14 g/mol. Its IUPAC name is (NE)-N-[[2-(trifluoromethyl)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-(trifluoromethyl)phenyl]methylidene]hydroxylamine
PubChem CID6868090
Molecular FormulaC8H6F3NO
Molecular Weight189.14 g/mol
Exact Mass189.04
IUPAC Name(NE)-N-[[2-(trifluoromethyl)phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1ccccc1C(F)(F)F
InChIInChI=1S/C8H6F3NO/c9-8(10,11)7-4-2-1-3-6(7)5-12-13/h1-5,13H/b12-5+
InChIKeyGBZLIAANNYDSOB-LFYBBSHMSA-N
XLogP2.51
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 52.51
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-(trifluoromethyl)phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-(trifluoromethyl)phenyl]methylidene]hydroxylamine (CID 6868090) is (NE)-N-[[2-(trifluoromethyl)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-(trifluoromethyl)phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-(trifluoromethyl)phenyl]methylidene]hydroxylamine is O/N=C/c1ccccc1C(F)(F)F.
What is the InChIKey of (NE)-N-[[2-(trifluoromethyl)phenyl]methylidene]hydroxylamine?
The InChIKey is GBZLIAANNYDSOB-LFYBBSHMSA-N. The full InChI is InChI=1S/C8H6F3NO/c9-8(10,11)7-4-2-1-3-6(7)5-12-13/h1-5,13H/b12-5+.
What are the key properties of (NE)-N-[[2-(trifluoromethyl)phenyl]methylidene]hydroxylamine?
(NE)-N-[[2-(trifluoromethyl)phenyl]methylidene]hydroxylamine has a molecular weight of 189.14 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[2-(trifluoromethyl)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 6868090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).