2-(2,2,2-trifluoroethylamino)propane-1,3-diol

C5H10F3NO2 — CID 65314838

IUPAC2-(2,2,2-trifluoroethylamino)propane-1,3-diol
SMILESOCC(CO)NCC(F)(F)F
InChIInChI=1S/C5H10F3NO2/c6-5(7,8)3-9-4(1-10)2-11/h4,9-11H,1-3H2
InChIKeyZPCVPNLLOXEEDA-UHFFFAOYSA-N
MW173.13 g/mol
LogP-0.51
Rot. Bonds4

About 2-(2,2,2-trifluoroethylamino)propane-1,3-diol

2-(2,2,2-trifluoroethylamino)propane-1,3-diol (PubChem CID 65314838) has the molecular formula C5H10F3NO2 and a molecular weight of 173.13 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylamino)propane-1,3-diol
PubChem CID65314838
Molecular FormulaC5H10F3NO2
Molecular Weight173.13 g/mol
Exact Mass173.07
IUPAC Name2-(2,2,2-trifluoroethylamino)propane-1,3-diol
SMILESOCC(CO)NCC(F)(F)F
InChIInChI=1S/C5H10F3NO2/c6-5(7,8)3-9-4(1-10)2-11/h4,9-11H,1-3H2
InChIKeyZPCVPNLLOXEEDA-UHFFFAOYSA-N
XLogP-0.51
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.13
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(2,2,2-trifluoroethylamino)propane-1,3-diol 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)propane-1,3-diol?
The IUPAC name of 2-(2,2,2-trifluoroethylamino)propane-1,3-diol (CID 65314838) is 2-(2,2,2-trifluoroethylamino)propane-1,3-diol.
What is the SMILES notation for 2-(2,2,2-trifluoroethylamino)propane-1,3-diol?
The canonical SMILES for 2-(2,2,2-trifluoroethylamino)propane-1,3-diol is OCC(CO)NCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylamino)propane-1,3-diol?
The InChIKey is ZPCVPNLLOXEEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2/c6-5(7,8)3-9-4(1-10)2-11/h4,9-11H,1-3H2.
What are the key properties of 2-(2,2,2-trifluoroethylamino)propane-1,3-diol?
2-(2,2,2-trifluoroethylamino)propane-1,3-diol has a molecular weight of 173.13 g/mol, XLogP of -0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylamino)propane-1,3-diol is sourced from PubChem (CID 65314838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).