2-methyl-3-[[2-(trifluoromethoxy)ethylamino]methyl]oxolan-3-ol

C9H16F3NO3 — CID 106101267

IUPAC2-methyl-3-[[2-(trifluoromethoxy)ethylamino]methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNCCOC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-7-8(14,2-4-15-7)6-13-3-5-16-9(10,11)12/h7,13-14H,2-6H2,1H3
InChIKeyOQGOREFHAFWJFG-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.65
Rot. Bonds5

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

2-methyl-3-[[2-(trifluoromethoxy)ethylamino]methyl]oxolan-3-ol (PubChem CID 106101267) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-methyl-3-[[2-(trifluoromethoxy)ethylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[2-(trifluoromethoxy)ethylamino]methyl]oxolan-3-ol
PubChem CID106101267
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name2-methyl-3-[[2-(trifluoromethoxy)ethylamino]methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNCCOC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-7-8(14,2-4-15-7)6-13-3-5-16-9(10,11)12/h7,13-14H,2-6H2,1H3
InChIKeyOQGOREFHAFWJFG-UHFFFAOYSA-N
XLogP0.65
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[2-(trifluoromethoxy)ethylamino]methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[[2-(trifluoromethoxy)ethylamino]methyl]oxolan-3-ol (CID 106101267) is 2-methyl-3-[[2-(trifluoromethoxy)ethylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[[2-(trifluoromethoxy)ethylamino]methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[[2-(trifluoromethoxy)ethylamino]methyl]oxolan-3-ol is CC1OCCC1(O)CNCCOC(F)(F)F.
What is the InChIKey of 2-methyl-3-[[2-(trifluoromethoxy)ethylamino]methyl]oxolan-3-ol?
The InChIKey is OQGOREFHAFWJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-7-8(14,2-4-15-7)6-13-3-5-16-9(10,11)12/h7,13-14H,2-6H2,1H3.
What are the key properties of 2-methyl-3-[[2-(trifluoromethoxy)ethylamino]methyl]oxolan-3-ol?
2-methyl-3-[[2-(trifluoromethoxy)ethylamino]methyl]oxolan-3-ol has a molecular weight of 243.22 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[2-(trifluoromethoxy)ethylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 106101267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).