[3-(2,2,2-trifluoroethylamino)oxolan-3-yl]methanol

C7H12F3NO2 — CID 63333425

IUPAC[3-(2,2,2-trifluoroethylamino)oxolan-3-yl]methanol
SMILESOCC1(NCC(F)(F)F)CCOC1
InChIInChI=1S/C7H12F3NO2/c8-7(9,10)3-11-6(4-12)1-2-13-5-6/h11-12H,1-5H2
InChIKeyUSYYIXJKNKRPIK-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.29
Rot. Bonds3

About [3-(2,2,2-trifluoroethylamino)oxolan-3-yl]methanol

[3-(2,2,2-trifluoroethylamino)oxolan-3-yl]methanol (PubChem CID 63333425) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is [3-(2,2,2-trifluoroethylamino)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(2,2,2-trifluoroethylamino)oxolan-3-yl]methanol
PubChem CID63333425
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name[3-(2,2,2-trifluoroethylamino)oxolan-3-yl]methanol
SMILESOCC1(NCC(F)(F)F)CCOC1
InChIInChI=1S/C7H12F3NO2/c8-7(9,10)3-11-6(4-12)1-2-13-5-6/h11-12H,1-5H2
InChIKeyUSYYIXJKNKRPIK-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)oxolan-3-yl]methanol?
The IUPAC name of [3-(2,2,2-trifluoroethylamino)oxolan-3-yl]methanol (CID 63333425) is [3-(2,2,2-trifluoroethylamino)oxolan-3-yl]methanol.
What is the SMILES notation for [3-(2,2,2-trifluoroethylamino)oxolan-3-yl]methanol?
The canonical SMILES for [3-(2,2,2-trifluoroethylamino)oxolan-3-yl]methanol is OCC1(NCC(F)(F)F)CCOC1.
What is the InChIKey of [3-(2,2,2-trifluoroethylamino)oxolan-3-yl]methanol?
The InChIKey is USYYIXJKNKRPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c8-7(9,10)3-11-6(4-12)1-2-13-5-6/h11-12H,1-5H2.
What are the key properties of [3-(2,2,2-trifluoroethylamino)oxolan-3-yl]methanol?
[3-(2,2,2-trifluoroethylamino)oxolan-3-yl]methanol 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)oxolan-3-yl]methanol is sourced from PubChem (CID 63333425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).