1,1,1-trifluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol

C7H12F3NO2 — CID 106940629

IUPAC1,1,1-trifluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol
SMILESCC1(OCC(O)C(F)(F)F)CNC1
InChIInChI=1S/C7H12F3NO2/c1-6(3-11-4-6)13-2-5(12)7(8,9)10/h5,11-12H,2-4H2,1H3
InChIKeyZOJCDVMZLKIXTO-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.29
Rot. Bonds3

About 1,1,1-trifluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol

1,1,1-trifluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol (PubChem CID 106940629) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol
PubChem CID106940629
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name1,1,1-trifluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol
SMILESCC1(OCC(O)C(F)(F)F)CNC1
InChIInChI=1S/C7H12F3NO2/c1-6(3-11-4-6)13-2-5(12)7(8,9)10/h5,11-12H,2-4H2,1H3
InChIKeyZOJCDVMZLKIXTO-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 1,1,1-trifluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol (CID 106940629) is 1,1,1-trifluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol is CC1(OCC(O)C(F)(F)F)CNC1.
What is the InChIKey of 1,1,1-trifluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol?
The InChIKey is ZOJCDVMZLKIXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-6(3-11-4-6)13-2-5(12)7(8,9)10/h5,11-12H,2-4H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol?
1,1,1-trifluoro-3-(3-methylazetidin-3-yl)oxypropan-2-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 1,1,1-trifluoro-3-(3-methylazetidin-3-yl)oxypropan-2-ol is sourced from PubChem (CID 106940629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).