(NZ)-N-[2,2,2-trifluoro-1-(4-phenoxyphenyl)ethylidene]hydroxylamine

C14H10F3NO2 — CID 18674531

IUPAC(NZ)-N-[2,2,2-trifluoro-1-(4-phenoxyphenyl)ethylidene]hydroxylamine
SMILESO/N=C(/c1ccc(Oc2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)13(18-19)10-6-8-12(9-7-10)20-11-4-2-1-3-5-11/h1-9,19H/b18-13-
InChIKeyAVFJKBUVEZKNOM-AQTBWJFISA-N
MW281.23 g/mol
LogP4.22
Rot. Bonds3

About (NZ)-N-[2,2,2-trifluoro-1-(4-phenoxyphenyl)ethylidene]hydroxylamine

(NZ)-N-[2,2,2-trifluoro-1-(4-phenoxyphenyl)ethylidene]hydroxylamine (PubChem CID 18674531) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is (NZ)-N-[2,2,2-trifluoro-1-(4-phenoxyphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2,2,2-trifluoro-1-(4-phenoxyphenyl)ethylidene]hydroxylamine
PubChem CID18674531
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name(NZ)-N-[2,2,2-trifluoro-1-(4-phenoxyphenyl)ethylidene]hydroxylamine
SMILESO/N=C(/c1ccc(Oc2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)13(18-19)10-6-8-12(9-7-10)20-11-4-2-1-3-5-11/h1-9,19H/b18-13-
InChIKeyAVFJKBUVEZKNOM-AQTBWJFISA-N
XLogP4.22
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 54.22
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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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[2,2,2-trifluoro-1-(4-phenoxyphenyl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2,2,2-trifluoro-1-(4-phenoxyphenyl)ethylidene]hydroxylamine (CID 18674531) is (NZ)-N-[2,2,2-trifluoro-1-(4-phenoxyphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2,2,2-trifluoro-1-(4-phenoxyphenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2,2,2-trifluoro-1-(4-phenoxyphenyl)ethylidene]hydroxylamine is O/N=C(/c1ccc(Oc2ccccc2)cc1)C(F)(F)F.
What is the InChIKey of (NZ)-N-[2,2,2-trifluoro-1-(4-phenoxyphenyl)ethylidene]hydroxylamine?
The InChIKey is AVFJKBUVEZKNOM-AQTBWJFISA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-14(16,17)13(18-19)10-6-8-12(9-7-10)20-11-4-2-1-3-5-11/h1-9,19H/b18-13-.
What are the key properties of (NZ)-N-[2,2,2-trifluoro-1-(4-phenoxyphenyl)ethylidene]hydroxylamine?
(NZ)-N-[2,2,2-trifluoro-1-(4-phenoxyphenyl)ethylidene]hydroxylamine has a molecular weight of 281.23 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2,2,2-trifluoro-1-(4-phenoxyphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 18674531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).