2-aminooxy-1,1,1-trifluoropropan-2-ol

C3H6F3NO2 — CID 141113264

IUPAC2-aminooxy-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(ON)C(F)(F)F
InChIInChI=1S/C3H6F3NO2/c1-2(8,9-7)3(4,5)6/h8H,7H2,1H3
InChIKeyHPDAYPUGVRHAFZ-UHFFFAOYSA-N
MW145.08 g/mol
LogP0.15
Rot. Bonds1

About 2-aminooxy-1,1,1-trifluoropropan-2-ol

2-aminooxy-1,1,1-trifluoropropan-2-ol (PubChem CID 141113264) has the molecular formula C3H6F3NO2 and a molecular weight of 145.08 g/mol. Its IUPAC name is 2-aminooxy-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-aminooxy-1,1,1-trifluoropropan-2-ol
PubChem CID141113264
Molecular FormulaC3H6F3NO2
Molecular Weight145.08 g/mol
Exact Mass145.04
IUPAC Name2-aminooxy-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(ON)C(F)(F)F
InChIInChI=1S/C3H6F3NO2/c1-2(8,9-7)3(4,5)6/h8H,7H2,1H3
InChIKeyHPDAYPUGVRHAFZ-UHFFFAOYSA-N
XLogP0.15
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.08
LogP ≤ 50.15
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 2-aminooxy-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-aminooxy-1,1,1-trifluoropropan-2-ol (CID 141113264) is 2-aminooxy-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-aminooxy-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-aminooxy-1,1,1-trifluoropropan-2-ol is CC(O)(ON)C(F)(F)F.
What is the InChIKey of 2-aminooxy-1,1,1-trifluoropropan-2-ol?
The InChIKey is HPDAYPUGVRHAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3NO2/c1-2(8,9-7)3(4,5)6/h8H,7H2,1H3.
What are the key properties of 2-aminooxy-1,1,1-trifluoropropan-2-ol?
2-aminooxy-1,1,1-trifluoropropan-2-ol has a molecular weight of 145.08 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 141113264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).