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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Related Compounds

3-Methyl-2-morpholin-2-yl-1-(trifluoromethoxy)butan-2-ol
CID 68446363
5,5,5-Trifluoro-2-morpholin-2-ylpentan-2-ol
CID 91378325
3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
CID 104760690
2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
CID 104760737
N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 104760767
4,4,4-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine
CID 104760780
N-[(3-methoxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 104760899
1,1,1-Trifluoro-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol
CID 104761007
N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 104761012
3-[(6,6,6-Trifluorohexan-2-ylamino)methyl]oxolan-3-ol
CID 104925234
1,1,1-Trifluoro-3-[(2-methyloxolan-3-yl)methylamino]propan-2-ol
CID 105736042
N-[(2-methyloxolan-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 105736558

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).