(NZ)-N-[1-[3,5-bis(trifluoromethyl)phenyl]-2-phenylsulfanylethylidene]hydroxylamine

C16H11F6NOS — CID 71455381

IUPAC(NZ)-N-[1-[3,5-bis(trifluoromethyl)phenyl]-2-phenylsulfanylethylidene]hydroxylamine
SMILESO/N=C(\CSc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H11F6NOS/c17-15(18,19)11-6-10(7-12(8-11)16(20,21)22)14(23-24)9-25-13-4-2-1-3-5-13/h1-8,24H,9H2/b23-14+
InChIKeyDAXJSKBHGDKHBM-OEAKJJBVSA-N
MW379.33 g/mol
LogP5.69
Rot. Bonds4

About (NZ)-N-[1-[3,5-bis(trifluoromethyl)phenyl]-2-phenylsulfanylethylidene]hydroxylamine

(NZ)-N-[1-[3,5-bis(trifluoromethyl)phenyl]-2-phenylsulfanylethylidene]hydroxylamine (PubChem CID 71455381) has the molecular formula C16H11F6NOS and a molecular weight of 379.33 g/mol. Its IUPAC name is (NZ)-N-[1-[3,5-bis(trifluoromethyl)phenyl]-2-phenylsulfanylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[3,5-bis(trifluoromethyl)phenyl]-2-phenylsulfanylethylidene]hydroxylamine
PubChem CID71455381
Molecular FormulaC16H11F6NOS
Molecular Weight379.33 g/mol
Exact Mass379.05
IUPAC Name(NZ)-N-[1-[3,5-bis(trifluoromethyl)phenyl]-2-phenylsulfanylethylidene]hydroxylamine
SMILESO/N=C(\CSc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H11F6NOS/c17-15(18,19)11-6-10(7-12(8-11)16(20,21)22)14(23-24)9-25-13-4-2-1-3-5-13/h1-8,24H,9H2/b23-14+
InChIKeyDAXJSKBHGDKHBM-OEAKJJBVSA-N
XLogP5.69
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.33
LogP ≤ 55.69
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-[1-[3,5-bis(trifluoromethyl)phenyl]-2-phenylsulfanylethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[3,5-bis(trifluoromethyl)phenyl]-2-phenylsulfanylethylidene]hydroxylamine (CID 71455381) is (NZ)-N-[1-[3,5-bis(trifluoromethyl)phenyl]-2-phenylsulfanylethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[3,5-bis(trifluoromethyl)phenyl]-2-phenylsulfanylethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[3,5-bis(trifluoromethyl)phenyl]-2-phenylsulfanylethylidene]hydroxylamine is O/N=C(\CSc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of (NZ)-N-[1-[3,5-bis(trifluoromethyl)phenyl]-2-phenylsulfanylethylidene]hydroxylamine?
The InChIKey is DAXJSKBHGDKHBM-OEAKJJBVSA-N. The full InChI is InChI=1S/C16H11F6NOS/c17-15(18,19)11-6-10(7-12(8-11)16(20,21)22)14(23-24)9-25-13-4-2-1-3-5-13/h1-8,24H,9H2/b23-14+.
What are the key properties of (NZ)-N-[1-[3,5-bis(trifluoromethyl)phenyl]-2-phenylsulfanylethylidene]hydroxylamine?
(NZ)-N-[1-[3,5-bis(trifluoromethyl)phenyl]-2-phenylsulfanylethylidene]hydroxylamine has a molecular weight of 379.33 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[3,5-bis(trifluoromethyl)phenyl]-2-phenylsulfanylethylidene]hydroxylamine is sourced from PubChem (CID 71455381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).