O-(1,1,1-trifluoro-2-methylbut-3-yn-2-yl)hydroxylamine

C5H6F3NO — CID 118134898

IUPACO-(1,1,1-trifluoro-2-methylbut-3-yn-2-yl)hydroxylamine
SMILESC#CC(C)(ON)C(F)(F)F
InChIInChI=1S/C5H6F3NO/c1-3-4(2,10-9)5(6,7)8/h1H,9H2,2H3
InChIKeyHXROOCYQXLUREA-UHFFFAOYSA-N
MW153.10 g/mol
LogP0.83
Rot. Bonds1

About O-(1,1,1-trifluoro-2-methylbut-3-yn-2-yl)hydroxylamine

O-(1,1,1-trifluoro-2-methylbut-3-yn-2-yl)hydroxylamine (PubChem CID 118134898) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is O-(1,1,1-trifluoro-2-methylbut-3-yn-2-yl)hydroxylamine.

Molecular Properties

Compound NameO-(1,1,1-trifluoro-2-methylbut-3-yn-2-yl)hydroxylamine
PubChem CID118134898
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC NameO-(1,1,1-trifluoro-2-methylbut-3-yn-2-yl)hydroxylamine
SMILESC#CC(C)(ON)C(F)(F)F
InChIInChI=1S/C5H6F3NO/c1-3-4(2,10-9)5(6,7)8/h1H,9H2,2H3
InChIKeyHXROOCYQXLUREA-UHFFFAOYSA-N
XLogP0.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-(1,1,1-trifluoro-2-methylbut-3-yn-2-yl)hydroxylamine?
The IUPAC name of O-(1,1,1-trifluoro-2-methylbut-3-yn-2-yl)hydroxylamine (CID 118134898) is O-(1,1,1-trifluoro-2-methylbut-3-yn-2-yl)hydroxylamine.
What is the SMILES notation for O-(1,1,1-trifluoro-2-methylbut-3-yn-2-yl)hydroxylamine?
The canonical SMILES for O-(1,1,1-trifluoro-2-methylbut-3-yn-2-yl)hydroxylamine is C#CC(C)(ON)C(F)(F)F.
What is the InChIKey of O-(1,1,1-trifluoro-2-methylbut-3-yn-2-yl)hydroxylamine?
The InChIKey is HXROOCYQXLUREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO/c1-3-4(2,10-9)5(6,7)8/h1H,9H2,2H3.
What are the key properties of O-(1,1,1-trifluoro-2-methylbut-3-yn-2-yl)hydroxylamine?
O-(1,1,1-trifluoro-2-methylbut-3-yn-2-yl)hydroxylamine has a molecular weight of 153.10 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(1,1,1-trifluoro-2-methylbut-3-yn-2-yl)hydroxylamine is sourced from PubChem (CID 118134898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).