3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol

C9H16F3NO3 — CID 106100420

IUPAC3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol
SMILESOC1(CNCCOCC(F)(F)F)CCOC1
InChIInChI=1S/C9H16F3NO3/c10-9(11,12)7-16-4-2-13-5-8(14)1-3-15-6-8/h13-14H,1-7H2
InChIKeyKUIOUQLHUCKLDA-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.31
Rot. Bonds6

About 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol

3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol (PubChem CID 106100420) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol
PubChem CID106100420
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol
SMILESOC1(CNCCOCC(F)(F)F)CCOC1
InChIInChI=1S/C9H16F3NO3/c10-9(11,12)7-16-4-2-13-5-8(14)1-3-15-6-8/h13-14H,1-7H2
InChIKeyKUIOUQLHUCKLDA-UHFFFAOYSA-N
XLogP0.31
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-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 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol (CID 106100420) is 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol is OC1(CNCCOCC(F)(F)F)CCOC1.
What is the InChIKey of 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol?
The InChIKey is KUIOUQLHUCKLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c10-9(11,12)7-16-4-2-13-5-8(14)1-3-15-6-8/h13-14H,1-7H2.
What are the key properties of 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol?
3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol has a molecular weight of 243.22 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 106100420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).