3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol

C7H12F3NO2 — CID 106100474

IUPAC3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol
SMILESOC1(CNCC(F)(F)F)CCOC1
InChIInChI=1S/C7H12F3NO2/c8-7(9,10)4-11-3-6(12)1-2-13-5-6/h11-12H,1-5H2
InChIKeyUTKHXACFVRTHBB-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.29
Rot. Bonds3

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

3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol (PubChem CID 106100474) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol
PubChem CID106100474
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol
SMILESOC1(CNCC(F)(F)F)CCOC1
InChIInChI=1S/C7H12F3NO2/c8-7(9,10)4-11-3-6(12)1-2-13-5-6/h11-12H,1-5H2
InChIKeyUTKHXACFVRTHBB-UHFFFAOYSA-N
XLogP0.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol?
The IUPAC name of 3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol (CID 106100474) is 3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol is OC1(CNCC(F)(F)F)CCOC1.
What is the InChIKey of 3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol?
The InChIKey is UTKHXACFVRTHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c8-7(9,10)4-11-3-6(12)1-2-13-5-6/h11-12H,1-5H2.
What are the key properties of 3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol?
3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol has a molecular weight of 199.17 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 106100474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).