(NZ)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethylidene]hydroxylamine

C6H4F3NO2 — CID 11298289

IUPAC(NZ)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethylidene]hydroxylamine
SMILESO/N=C(/c1ccco1)C(F)(F)F
InChIInChI=1S/C6H4F3NO2/c7-6(8,9)5(10-11)4-2-1-3-12-4/h1-3,11H/b10-5-
InChIKeyQVQLJOCUHRMGAE-YHYXMXQVSA-N
MW179.10 g/mol
LogP2.02
Rot. Bonds1

About (NZ)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethylidene]hydroxylamine

(NZ)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethylidene]hydroxylamine (PubChem CID 11298289) has the molecular formula C6H4F3NO2 and a molecular weight of 179.10 g/mol. Its IUPAC name is (NZ)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethylidene]hydroxylamine
PubChem CID11298289
Molecular FormulaC6H4F3NO2
Molecular Weight179.10 g/mol
Exact Mass179.02
IUPAC Name(NZ)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethylidene]hydroxylamine
SMILESO/N=C(/c1ccco1)C(F)(F)F
InChIInChI=1S/C6H4F3NO2/c7-6(8,9)5(10-11)4-2-1-3-12-4/h1-3,11H/b10-5-
InChIKeyQVQLJOCUHRMGAE-YHYXMXQVSA-N
XLogP2.02
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 52.02
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-(furan-2-yl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethylidene]hydroxylamine (CID 11298289) is (NZ)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethylidene]hydroxylamine is O/N=C(/c1ccco1)C(F)(F)F.
What is the InChIKey of (NZ)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethylidene]hydroxylamine?
The InChIKey is QVQLJOCUHRMGAE-YHYXMXQVSA-N. The full InChI is InChI=1S/C6H4F3NO2/c7-6(8,9)5(10-11)4-2-1-3-12-4/h1-3,11H/b10-5-.
What are the key properties of (NZ)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethylidene]hydroxylamine?
(NZ)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethylidene]hydroxylamine has a molecular weight of 179.10 g/mol, XLogP of 2.02, 1 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-(furan-2-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 11298289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).