O-[2-(2,2,2-trifluoroethylamino)ethyl]hydroxylamine

C4H9F3N2O — CID 22286011

IUPACO-[2-(2,2,2-trifluoroethylamino)ethyl]hydroxylamine
SMILESNOCCNCC(F)(F)F
InChIInChI=1S/C4H9F3N2O/c5-4(6,7)3-9-1-2-10-8/h9H,1-3,8H2
InChIKeyZOMPCKWVFODPRX-UHFFFAOYSA-N
MW158.12 g/mol
LogP0.03
Rot. Bonds4

About O-[2-(2,2,2-trifluoroethylamino)ethyl]hydroxylamine

O-[2-(2,2,2-trifluoroethylamino)ethyl]hydroxylamine (PubChem CID 22286011) has the molecular formula C4H9F3N2O and a molecular weight of 158.12 g/mol. Its IUPAC name is O-[2-(2,2,2-trifluoroethylamino)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(2,2,2-trifluoroethylamino)ethyl]hydroxylamine
PubChem CID22286011
Molecular FormulaC4H9F3N2O
Molecular Weight158.12 g/mol
Exact Mass158.07
IUPAC NameO-[2-(2,2,2-trifluoroethylamino)ethyl]hydroxylamine
SMILESNOCCNCC(F)(F)F
InChIInChI=1S/C4H9F3N2O/c5-4(6,7)3-9-1-2-10-8/h9H,1-3,8H2
InChIKeyZOMPCKWVFODPRX-UHFFFAOYSA-N
XLogP0.03
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.12
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,2,2-trifluoroethylamino)ethyl]hydroxylamine?
The IUPAC name of O-[2-(2,2,2-trifluoroethylamino)ethyl]hydroxylamine (CID 22286011) is O-[2-(2,2,2-trifluoroethylamino)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(2,2,2-trifluoroethylamino)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(2,2,2-trifluoroethylamino)ethyl]hydroxylamine is NOCCNCC(F)(F)F.
What is the InChIKey of O-[2-(2,2,2-trifluoroethylamino)ethyl]hydroxylamine?
The InChIKey is ZOMPCKWVFODPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3N2O/c5-4(6,7)3-9-1-2-10-8/h9H,1-3,8H2.
What are the key properties of O-[2-(2,2,2-trifluoroethylamino)ethyl]hydroxylamine?
O-[2-(2,2,2-trifluoroethylamino)ethyl]hydroxylamine has a molecular weight of 158.12 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(2,2,2-trifluoroethylamino)ethyl]hydroxylamine is sourced from PubChem (CID 22286011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).