2-(2,2,2-trifluoroethylamino)ethanol

C4H8F3NO — CID 14513794

IUPAC2-(2,2,2-trifluoroethylamino)ethanol
SMILESOCCNCC(F)(F)F
InChIInChI=1S/C4H8F3NO/c5-4(6,7)3-8-1-2-9/h8-9H,1-3H2
InChIKeyRYMMYJLSBIHSDT-UHFFFAOYSA-N
MW143.11 g/mol
LogP0.13
Rot. Bonds3

About 2-(2,2,2-trifluoroethylamino)ethanol

2-(2,2,2-trifluoroethylamino)ethanol (PubChem CID 14513794) has the molecular formula C4H8F3NO and a molecular weight of 143.11 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylamino)ethanol.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylamino)ethanol
PubChem CID14513794
Molecular FormulaC4H8F3NO
Molecular Weight143.11 g/mol
Exact Mass143.06
IUPAC Name2-(2,2,2-trifluoroethylamino)ethanol
SMILESOCCNCC(F)(F)F
InChIInChI=1S/C4H8F3NO/c5-4(6,7)3-8-1-2-9/h8-9H,1-3H2
InChIKeyRYMMYJLSBIHSDT-UHFFFAOYSA-N
XLogP0.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.11
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,2,2-trifluoroethylamino)ethanol 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 2-(2,2,2-trifluoroethylamino)ethanol?
The IUPAC name of 2-(2,2,2-trifluoroethylamino)ethanol (CID 14513794) is 2-(2,2,2-trifluoroethylamino)ethanol.
What is the SMILES notation for 2-(2,2,2-trifluoroethylamino)ethanol?
The canonical SMILES for 2-(2,2,2-trifluoroethylamino)ethanol is OCCNCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylamino)ethanol?
The InChIKey is RYMMYJLSBIHSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO/c5-4(6,7)3-8-1-2-9/h8-9H,1-3H2.
What are the key properties of 2-(2,2,2-trifluoroethylamino)ethanol?
2-(2,2,2-trifluoroethylamino)ethanol has a molecular weight of 143.11 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylamino)ethanol is sourced from PubChem (CID 14513794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).