O-(1-amino-2,2,2-trifluoroethyl)hydroxylamine

C2H5F3N2O — CID 163649333

IUPACO-(1-amino-2,2,2-trifluoroethyl)hydroxylamine
SMILESNOC(N)C(F)(F)F
InChIInChI=1S/C2H5F3N2O/c3-2(4,5)1(6)8-7/h1H,6-7H2
InChIKeyIKXCSQHBZOYTRQ-UHFFFAOYSA-N
MW130.07 g/mol
LogP-0.28
Rot. Bonds1

About O-(1-amino-2,2,2-trifluoroethyl)hydroxylamine

O-(1-amino-2,2,2-trifluoroethyl)hydroxylamine (PubChem CID 163649333) has the molecular formula C2H5F3N2O and a molecular weight of 130.07 g/mol. Its IUPAC name is O-(1-amino-2,2,2-trifluoroethyl)hydroxylamine.

Molecular Properties

Compound NameO-(1-amino-2,2,2-trifluoroethyl)hydroxylamine
PubChem CID163649333
Molecular FormulaC2H5F3N2O
Molecular Weight130.07 g/mol
Exact Mass130.04
IUPAC NameO-(1-amino-2,2,2-trifluoroethyl)hydroxylamine
SMILESNOC(N)C(F)(F)F
InChIInChI=1S/C2H5F3N2O/c3-2(4,5)1(6)8-7/h1H,6-7H2
InChIKeyIKXCSQHBZOYTRQ-UHFFFAOYSA-N
XLogP-0.28
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.07
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-(1-amino-2,2,2-trifluoroethyl)hydroxylamine?
The IUPAC name of O-(1-amino-2,2,2-trifluoroethyl)hydroxylamine (CID 163649333) is O-(1-amino-2,2,2-trifluoroethyl)hydroxylamine.
What is the SMILES notation for O-(1-amino-2,2,2-trifluoroethyl)hydroxylamine?
The canonical SMILES for O-(1-amino-2,2,2-trifluoroethyl)hydroxylamine is NOC(N)C(F)(F)F.
What is the InChIKey of O-(1-amino-2,2,2-trifluoroethyl)hydroxylamine?
The InChIKey is IKXCSQHBZOYTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5F3N2O/c3-2(4,5)1(6)8-7/h1H,6-7H2.
What are the key properties of O-(1-amino-2,2,2-trifluoroethyl)hydroxylamine?
O-(1-amino-2,2,2-trifluoroethyl)hydroxylamine has a molecular weight of 130.07 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(1-amino-2,2,2-trifluoroethyl)hydroxylamine is sourced from PubChem (CID 163649333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).