2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol

C9H16F3NO2 — CID 104752580

IUPAC2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol
SMILESCN(CC(O)C1CCOC1)CC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-13(6-9(10,11)12)4-8(14)7-2-3-15-5-7/h7-8,14H,2-6H2,1H3
InChIKeySHLAYISTCMBLPM-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.88
Rot. Bonds4

About 2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol

2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol (PubChem CID 104752580) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol
PubChem CID104752580
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol
SMILESCN(CC(O)C1CCOC1)CC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-13(6-9(10,11)12)4-8(14)7-2-3-15-5-7/h7-8,14H,2-6H2,1H3
InChIKeySHLAYISTCMBLPM-UHFFFAOYSA-N
XLogP0.88
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)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-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol (CID 104752580) is 2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol is CN(CC(O)C1CCOC1)CC(F)(F)F.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol?
The InChIKey is SHLAYISTCMBLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-13(6-9(10,11)12)4-8(14)7-2-3-15-5-7/h7-8,14H,2-6H2,1H3.
What are the key properties of 2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol?
2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol has a molecular weight of 227.23 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 104752580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).