amino(2,2,2-trifluoroethoxy)methanol

C3H6F3NO2 — CID 91264167

IUPACamino(2,2,2-trifluoroethoxy)methanol
SMILESNC(O)OCC(F)(F)F
InChIInChI=1S/C3H6F3NO2/c4-3(5,6)1-9-2(7)8/h2,8H,1,7H2
InChIKeyGTBHQPMWWJYNLX-UHFFFAOYSA-N
MW145.08 g/mol
LogP-0.20
Rot. Bonds2

About amino(2,2,2-trifluoroethoxy)methanol

amino(2,2,2-trifluoroethoxy)methanol (PubChem CID 91264167) has the molecular formula C3H6F3NO2 and a molecular weight of 145.08 g/mol. Its IUPAC name is amino(2,2,2-trifluoroethoxy)methanol.

Molecular Properties

Compound Nameamino(2,2,2-trifluoroethoxy)methanol
PubChem CID91264167
Molecular FormulaC3H6F3NO2
Molecular Weight145.08 g/mol
Exact Mass145.04
IUPAC Nameamino(2,2,2-trifluoroethoxy)methanol
SMILESNC(O)OCC(F)(F)F
InChIInChI=1S/C3H6F3NO2/c4-3(5,6)1-9-2(7)8/h2,8H,1,7H2
InChIKeyGTBHQPMWWJYNLX-UHFFFAOYSA-N
XLogP-0.20
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.08
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino(2,2,2-trifluoroethoxy)methanol?
The IUPAC name of amino(2,2,2-trifluoroethoxy)methanol (CID 91264167) is amino(2,2,2-trifluoroethoxy)methanol.
What is the SMILES notation for amino(2,2,2-trifluoroethoxy)methanol?
The canonical SMILES for amino(2,2,2-trifluoroethoxy)methanol is NC(O)OCC(F)(F)F.
What is the InChIKey of amino(2,2,2-trifluoroethoxy)methanol?
The InChIKey is GTBHQPMWWJYNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3NO2/c4-3(5,6)1-9-2(7)8/h2,8H,1,7H2.
What are the key properties of amino(2,2,2-trifluoroethoxy)methanol?
amino(2,2,2-trifluoroethoxy)methanol has a molecular weight of 145.08 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino(2,2,2-trifluoroethoxy)methanol is sourced from PubChem (CID 91264167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).