2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propane-1,3-diol

C8H16F3NO3 — CID 79811642

IUPAC2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propane-1,3-diol
SMILESCC(CO)(CO)NCCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO3/c1-7(4-13,5-14)12-2-3-15-6-8(9,10)11/h12-14H,2-6H2,1H3
InChIKeyNRMZJDYNSCVMCG-UHFFFAOYSA-N
MW231.21 g/mol
LogP-0.10
Rot. Bonds7

About 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propane-1,3-diol

2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propane-1,3-diol (PubChem CID 79811642) has the molecular formula C8H16F3NO3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propane-1,3-diol
PubChem CID79811642
Molecular FormulaC8H16F3NO3
Molecular Weight231.21 g/mol
Exact Mass231.11
IUPAC Name2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propane-1,3-diol
SMILESCC(CO)(CO)NCCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO3/c1-7(4-13,5-14)12-2-3-15-6-8(9,10)11/h12-14H,2-6H2,1H3
InChIKeyNRMZJDYNSCVMCG-UHFFFAOYSA-N
XLogP-0.10
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]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-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propane-1,3-diol?
The IUPAC name of 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propane-1,3-diol (CID 79811642) is 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propane-1,3-diol.
What is the SMILES notation for 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propane-1,3-diol?
The canonical SMILES for 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propane-1,3-diol is CC(CO)(CO)NCCOCC(F)(F)F.
What is the InChIKey of 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propane-1,3-diol?
The InChIKey is NRMZJDYNSCVMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO3/c1-7(4-13,5-14)12-2-3-15-6-8(9,10)11/h12-14H,2-6H2,1H3.
What are the key properties of 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propane-1,3-diol?
2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propane-1,3-diol has a molecular weight of 231.21 g/mol, XLogP of -0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propane-1,3-diol is sourced from PubChem (CID 79811642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).