1,1,1-trifluoro-3-[2-(methylamino)ethoxy]propan-2-ol

C6H12F3NO2 — CID 106939465

IUPAC1,1,1-trifluoro-3-[2-(methylamino)ethoxy]propan-2-ol
SMILESCNCCOCC(O)C(F)(F)F
InChIInChI=1S/C6H12F3NO2/c1-10-2-3-12-4-5(11)6(7,8)9/h5,10-11H,2-4H2,1H3
InChIKeyZYQILUAFWUXTFM-UHFFFAOYSA-N
MW187.16 g/mol
LogP0.15
Rot. Bonds5

About 1,1,1-trifluoro-3-[2-(methylamino)ethoxy]propan-2-ol

1,1,1-trifluoro-3-[2-(methylamino)ethoxy]propan-2-ol (PubChem CID 106939465) has the molecular formula C6H12F3NO2 and a molecular weight of 187.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[2-(methylamino)ethoxy]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[2-(methylamino)ethoxy]propan-2-ol
PubChem CID106939465
Molecular FormulaC6H12F3NO2
Molecular Weight187.16 g/mol
Exact Mass187.08
IUPAC Name1,1,1-trifluoro-3-[2-(methylamino)ethoxy]propan-2-ol
SMILESCNCCOCC(O)C(F)(F)F
InChIInChI=1S/C6H12F3NO2/c1-10-2-3-12-4-5(11)6(7,8)9/h5,10-11H,2-4H2,1H3
InChIKeyZYQILUAFWUXTFM-UHFFFAOYSA-N
XLogP0.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,1,1-trifluoro-3-[2-(methylamino)ethoxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[2-(methylamino)ethoxy]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[2-(methylamino)ethoxy]propan-2-ol (CID 106939465) is 1,1,1-trifluoro-3-[2-(methylamino)ethoxy]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[2-(methylamino)ethoxy]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[2-(methylamino)ethoxy]propan-2-ol is CNCCOCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[2-(methylamino)ethoxy]propan-2-ol?
The InChIKey is ZYQILUAFWUXTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO2/c1-10-2-3-12-4-5(11)6(7,8)9/h5,10-11H,2-4H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[2-(methylamino)ethoxy]propan-2-ol?
1,1,1-trifluoro-3-[2-(methylamino)ethoxy]propan-2-ol has a molecular weight of 187.16 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[2-(methylamino)ethoxy]propan-2-ol is sourced from PubChem (CID 106939465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).