O-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]hydroxylamine

C8H9F3N2OS — CID 139893242

IUPACO-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]hydroxylamine
SMILESNOCCSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C8H9F3N2OS/c9-8(10,11)6-1-2-7(13-5-6)15-4-3-14-12/h1-2,5H,3-4,12H2
InChIKeyVANIYOPDBKEIOZ-UHFFFAOYSA-N
MW238.23 g/mol
LogP2.08
Rot. Bonds4

About O-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]hydroxylamine

O-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]hydroxylamine (PubChem CID 139893242) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is O-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]hydroxylamine
PubChem CID139893242
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC NameO-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]hydroxylamine
SMILESNOCCSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C8H9F3N2OS/c9-8(10,11)6-1-2-7(13-5-6)15-4-3-14-12/h1-2,5H,3-4,12H2
InChIKeyVANIYOPDBKEIOZ-UHFFFAOYSA-N
XLogP2.08
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 O-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]hydroxylamine (CID 139893242) is O-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]hydroxylamine is NOCCSc1ccc(C(F)(F)F)cn1.
What is the InChIKey of O-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]hydroxylamine?
The InChIKey is VANIYOPDBKEIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c9-8(10,11)6-1-2-7(13-5-6)15-4-3-14-12/h1-2,5H,3-4,12H2.
What are the key properties of O-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]hydroxylamine?
O-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]hydroxylamine has a molecular weight of 238.23 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]hydroxylamine is sourced from PubChem (CID 139893242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).