(NZ)-N-[2-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethylidene]hydroxylamine

C15H12F3NOS — CID 71460820

IUPAC(NZ)-N-[2-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethylidene]hydroxylamine
SMILESO/N=C(\CSc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F3NOS/c16-15(17,18)12-6-4-5-11(9-12)14(19-20)10-21-13-7-2-1-3-8-13/h1-9,20H,10H2/b19-14+
InChIKeyUTOKICRUBICBJB-XMHGGMMESA-N
MW311.33 g/mol
LogP4.68
Rot. Bonds4

About (NZ)-N-[2-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethylidene]hydroxylamine

(NZ)-N-[2-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethylidene]hydroxylamine (PubChem CID 71460820) has the molecular formula C15H12F3NOS and a molecular weight of 311.33 g/mol. Its IUPAC name is (NZ)-N-[2-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethylidene]hydroxylamine
PubChem CID71460820
Molecular FormulaC15H12F3NOS
Molecular Weight311.33 g/mol
Exact Mass311.06
IUPAC Name(NZ)-N-[2-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethylidene]hydroxylamine
SMILESO/N=C(\CSc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12F3NOS/c16-15(17,18)12-6-4-5-11(9-12)14(19-20)10-21-13-7-2-1-3-8-13/h1-9,20H,10H2/b19-14+
InChIKeyUTOKICRUBICBJB-XMHGGMMESA-N
XLogP4.68
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 54.68
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-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethylidene]hydroxylamine (CID 71460820) is (NZ)-N-[2-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethylidene]hydroxylamine is O/N=C(\CSc1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (NZ)-N-[2-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethylidene]hydroxylamine?
The InChIKey is UTOKICRUBICBJB-XMHGGMMESA-N. The full InChI is InChI=1S/C15H12F3NOS/c16-15(17,18)12-6-4-5-11(9-12)14(19-20)10-21-13-7-2-1-3-8-13/h1-9,20H,10H2/b19-14+.
What are the key properties of (NZ)-N-[2-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethylidene]hydroxylamine?
(NZ)-N-[2-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethylidene]hydroxylamine has a molecular weight of 311.33 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2-phenylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 71460820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).