(NZ)-N-[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine

C8H5ClF3NO — CID 5484598

IUPAC(NZ)-N-[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine
SMILESO/N=C(/c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C8H5ClF3NO/c9-6-3-1-5(2-4-6)7(13-14)8(10,11)12/h1-4,14H/b13-7-
InChIKeyDHFHLGPVGBSNLI-QPEQYQDCSA-N
MW223.58 g/mol
LogP3.08
Rot. Bonds1

About (NZ)-N-[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine

(NZ)-N-[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine (PubChem CID 5484598) has the molecular formula C8H5ClF3NO and a molecular weight of 223.58 g/mol. Its IUPAC name is (NZ)-N-[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine
PubChem CID5484598
Molecular FormulaC8H5ClF3NO
Molecular Weight223.58 g/mol
Exact Mass223.00
IUPAC Name(NZ)-N-[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine
SMILESO/N=C(/c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C8H5ClF3NO/c9-6-3-1-5(2-4-6)7(13-14)8(10,11)12/h1-4,14H/b13-7-
InChIKeyDHFHLGPVGBSNLI-QPEQYQDCSA-N
XLogP3.08
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.58
LogP ≤ 53.08
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 (NZ)-N-[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine (CID 5484598) is (NZ)-N-[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine is O/N=C(/c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of (NZ)-N-[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine?
The InChIKey is DHFHLGPVGBSNLI-QPEQYQDCSA-N. The full InChI is InChI=1S/C8H5ClF3NO/c9-6-3-1-5(2-4-6)7(13-14)8(10,11)12/h1-4,14H/b13-7-.
What are the key properties of (NZ)-N-[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine?
(NZ)-N-[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine has a molecular weight of 223.58 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine is sourced from PubChem (CID 5484598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).