(NZ)-N-[[2-(trifluoromethylsulfanyl)phenyl]methylidene]hydroxylamine

C8H6F3NOS — CID 122361009

IUPAC(NZ)-N-[[2-(trifluoromethylsulfanyl)phenyl]methylidene]hydroxylamine
SMILESO/N=C\c1ccccc1SC(F)(F)F
InChIInChI=1S/C8H6F3NOS/c9-8(10,11)14-7-4-2-1-3-6(7)5-12-13/h1-5,13H/b12-5-
InChIKeyQMVQUWFRXJRUQH-XGICHPGQSA-N
MW221.20 g/mol
LogP3.11
Rot. Bonds2

About (NZ)-N-[[2-(trifluoromethylsulfanyl)phenyl]methylidene]hydroxylamine

(NZ)-N-[[2-(trifluoromethylsulfanyl)phenyl]methylidene]hydroxylamine (PubChem CID 122361009) has the molecular formula C8H6F3NOS and a molecular weight of 221.20 g/mol. Its IUPAC name is (NZ)-N-[[2-(trifluoromethylsulfanyl)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[2-(trifluoromethylsulfanyl)phenyl]methylidene]hydroxylamine
PubChem CID122361009
Molecular FormulaC8H6F3NOS
Molecular Weight221.20 g/mol
Exact Mass221.01
IUPAC Name(NZ)-N-[[2-(trifluoromethylsulfanyl)phenyl]methylidene]hydroxylamine
SMILESO/N=C\c1ccccc1SC(F)(F)F
InChIInChI=1S/C8H6F3NOS/c9-8(10,11)14-7-4-2-1-3-6(7)5-12-13/h1-5,13H/b12-5-
InChIKeyQMVQUWFRXJRUQH-XGICHPGQSA-N
XLogP3.11
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 53.11
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-(trifluoromethylsulfanyl)phenyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[2-(trifluoromethylsulfanyl)phenyl]methylidene]hydroxylamine (CID 122361009) is (NZ)-N-[[2-(trifluoromethylsulfanyl)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[2-(trifluoromethylsulfanyl)phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[2-(trifluoromethylsulfanyl)phenyl]methylidene]hydroxylamine is O/N=C\c1ccccc1SC(F)(F)F.
What is the InChIKey of (NZ)-N-[[2-(trifluoromethylsulfanyl)phenyl]methylidene]hydroxylamine?
The InChIKey is QMVQUWFRXJRUQH-XGICHPGQSA-N. The full InChI is InChI=1S/C8H6F3NOS/c9-8(10,11)14-7-4-2-1-3-6(7)5-12-13/h1-5,13H/b12-5-.
What are the key properties of (NZ)-N-[[2-(trifluoromethylsulfanyl)phenyl]methylidene]hydroxylamine?
(NZ)-N-[[2-(trifluoromethylsulfanyl)phenyl]methylidene]hydroxylamine has a molecular weight of 221.20 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[2-(trifluoromethylsulfanyl)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 122361009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).