3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol

C6H10F3NO2 — CID 106939889

IUPAC3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol
SMILESOC(COC1CNC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c7-6(8,9)5(11)3-12-4-1-10-2-4/h4-5,10-11H,1-3H2
InChIKeyNTOOXFXIXXJZCT-UHFFFAOYSA-N
MW185.14 g/mol
LogP-0.10
Rot. Bonds3

About 3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol

3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol (PubChem CID 106939889) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is 3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol
PubChem CID106939889
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol
SMILESOC(COC1CNC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c7-6(8,9)5(11)3-12-4-1-10-2-4/h4-5,10-11H,1-3H2
InChIKeyNTOOXFXIXXJZCT-UHFFFAOYSA-N
XLogP-0.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol (CID 106939889) is 3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol is OC(COC1CNC1)C(F)(F)F.
What is the InChIKey of 3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol?
The InChIKey is NTOOXFXIXXJZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c7-6(8,9)5(11)3-12-4-1-10-2-4/h4-5,10-11H,1-3H2.
What are the key properties of 3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol?
3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol has a molecular weight of 185.14 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 106939889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).